chempirical

4-Aminonicotinic acid

C6H6N2O2CAS 7418-65-7138.13 g/mol

Open in Covalent MOL file
NHNHOHO
Carboxylic acid

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
Melting point
328 °C (decomposes)
logP
0.19Crippen estimate
Polar surface area
76.9 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
7418-65-7
SMILES
N=c1cc[nH]cc1C(=O)O
InChIKey
IASBMUIXBJNMDW-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/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, 4-amino-
  • Nicotinic acid, 4-amino-
  • 4-Amino-3-pyridinecarboxylic acid
  • 4-Aminopyridine-3-carboxylic acid
  • NSC 266130

Work with 4-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

4-Amino-3-pyridinecarboxamide7418-66-866 % similar 4-Hydroxynicotinic acid609-70-161 % similar Pyrrole-3-carboxylic acid931-03-353 % similar 4-Amino-3-hydroxypyridine52334-53-945 % similar 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-644 % similar 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-444 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-242 % similar Phthalic acid88-99-342 % 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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