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4-Aminonicotinic acid

CAT: 0063-85336389-1gSize: 1 gDry Ice: NoHazardous: No
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CAS Number
7418-65-7
Molecular Formula
C6H6N2O2
Molecular Weight
138.12
Formulation
C6H6N2O2

Chemical Information

4-Aminonicotinic acid

4-aminonicotinic acid is an aminonicotinic acid in which the amino group is situated at position 4 of the pyridine ring. It has a role as a metabolite. It is an aromatic amine, an aminopyridine and an aminonicotinic acid. It is functionally related to a nicotinic acid and a 4-aminopyridine.

CAS Number7418-65-7
PubChem CID319979
IUPAC Name4-aminopyridine-3-carboxylic acid
Molecular FormulaC6H6N2O2
Molecular Weight138.12
XLogP0.2
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity138
SMILES
C1=CN=CC(=C1N)C(=O)O
InChI
InChI=1S/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKey
IASBMUIXBJNMDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminonicotinic acid
CAS: 7418-65-7
CID: 319979
Formula: C6H6N2O2
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass138.042927438
Monoisotopic Mass138.042927438
Topological Polar Surface Area76.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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