CAS 7418-65-7 | 4-Aminonicotinic acid | CAS Number 7418-65-7

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7418-65-7 | 4-Aminonicotinic acid

CAS No: 7418-65-7 Catalog No: AG003KRQ MDL No:MFCD00234183

Product Description

Catalog Number:

AG003KRQ

Chemical Name:

4-Aminonicotinic acid

CAS Number:

7418-65-7

Molecular Formula:

C6H6N2O2

Molecular Weight:

138.1240

MDL Number:

MFCD00234183

IUPAC Name:

4-aminopyridine-3-carboxylic acid

InChI:

InChI=1S/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H2,7,8)(H,9,10)

InChI Key:

IASBMUIXBJNMDW-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnccc1N

NSC Number:

266130

Properties

Complexity:

138

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

138.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

138.126g/mol

Monoisotopic Mass:

138.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
2-Amino-3-carb-oxy-pyridinium nitrate.	Acta crystallographica. Section E, Structure reports online 20110801
Chemoselective cyclization of aminonicotinic acid derivatives to 1,8-naphthyridin-2-ones via a potential intramolecular azadiene-ketene electrocyclization reaction.	The Journal of organic chemistry 20010615