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Product No: AR0770

2-Aminonicotinic acid, 98%

Name: 2-Aminonicotinic acid
Brand: Chempure

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CAS Number

5345-47-1

Molecular Weight

138.12

Formula

C6H6N2O2

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About this item

IUPAC name	2-aminopyridine-3-carboxylic acid
canonical smiles	C1=CC(=C(N=C1)N)C(=O)O
inchi	InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)
inchi key	KPIVDNYJNOPGBE-UHFFFAOYSA-N
molecular formula	C6H6N2O2
synonyms	2-Aminonicotinic acid 5345-47-1 2-Aminopyridine-3-carboxylic acid 2-Amino-3-pyridinecarboxylic acid 2-Amino nicotinic acid
Compound Description	2-aminonicotinic acid is an aminonicotinic acid in which the amino group is situated at position 2 of the pyridine ring. It has a role as a metabolite. It is an aminopyridine and an aminonicotinic acid. It is functionally related to a nicotinic acid.

Computed Properties

Molecular Weight:	138.12 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	138.042927438 g/mol
Monoisotopic Mass:	138.042927438 g/mol
Topological Polar Surface Area:	76.2 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	138
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzoic Acid

Salicylic Acid

Nicotinic acid

Anthranilic acid

3-Hydroxyanthranilic acid

Pyrazine-2-carboxylic acid

2,4-Dihydroxybenzoic acid

2-Aminobenzamide

2-Nitroaniline

o-Toluic Acid

2,6-Dihydroxybenzoic acid

2'-Aminoacetophenone

5-Chlorosalicylic acid

3,6-Dichloro-2-hydroxybenzoic acid

Thiosalicylic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-aminopyridine-3-carboxylic acid
canonical smiles	C1=CC(=C(N=C1)N)C(=O)O
inchi	InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)
inchi key	KPIVDNYJNOPGBE-UHFFFAOYSA-N
molecular formula	C6H6N2O2
synonyms	2-Aminonicotinic acid 5345-47-1 2-Aminopyridine-3-carboxylic acid 2-Amino-3-pyridinecarboxylic acid 2-Amino nicotinic acid
Compound Description	2-aminonicotinic acid is an aminonicotinic acid in which the amino group is situated at position 2 of the pyridine ring. It has a role as a metabolite. It is an aminopyridine and an aminonicotinic acid. It is functionally related to a nicotinic acid.

Computed Properties

Molecular Weight:	138.12 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	138.042927438 g/mol
Monoisotopic Mass:	138.042927438 g/mol
Topological Polar Surface Area:	76.2 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	138
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzoic Acid

Salicylic Acid

Nicotinic acid

Anthranilic acid

3-Hydroxyanthranilic acid

Pyrazine-2-carboxylic acid

2,4-Dihydroxybenzoic acid

2-Aminobenzamide

2-Nitroaniline

o-Toluic Acid

2,6-Dihydroxybenzoic acid

2'-Aminoacetophenone

5-Chlorosalicylic acid

3,6-Dichloro-2-hydroxybenzoic acid

Thiosalicylic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AR0770

2-Aminonicotinic acid, 98%

Product No: AR0770

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AR0770

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?