chempirical

2-Aminonicotinic acid

C6H6N2O2CAS 5345-47-1138.13 g/mol

Open in Covalent MOL file
NH2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
Melting point
308 °C (decomposes)
logP
0.36Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
5345-47-1
SMILES
Nc1ncccc1C(=O)O
InChIKey
KPIVDNYJNOPGBE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 3-Pyridinecarboxylic acid, 2-amino-
  • Nicotinic acid, 2-amino-
  • 2-Amino-3-pyridinecarboxylic acid
  • NSC 3049
  • 2-Amino-3-carboxypyridine

Work with 2-Aminonicotinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Quinolinic acid89-00-963 % similar 2-Hydroxynicotinic acid609-71-261 % similar 2-Chloronicotinic acid2942-59-859 % similar 2-Methylnicotinic acid3222-56-859 % similar 2-Mercaptonicotinic acid38521-46-959 % similar 2-Fluoronicotinic acid393-55-559 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-557 % similar 2-Methoxynicotinic acid16498-81-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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