3-Nitropyridine-2-carboxylic acid

C₆H₄N₂O₄CAS 59290-85-6168.11 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₆H₄N₂O₄
Molar mass: 168.11 g/mol
Exact mass: 168.0171 Da
logP: 0.69Crippen estimate
Polar surface area: 93.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

59290-85-6

SMILES

C1=CC(=C(N=C1)C(=O)O)[N+](=O)[O-]

InChIKey

ZUUJWCKWJJGJOE-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O4/c9-6(10)5-4(8(11)12)2-1-3-7-5/h1-3H,(H,9,10)

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Names and synonyms

1 names

3-Nitro-pyridine-2-carboxylic acid

Work with 3-Nitropyridine-2-carboxylic 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

2-Nitrobenzoic acid552-16-958 % similar 3-Aminopicolinic acid1462-86-855 % similar 3-Nitro-2(1H)-pyridinone6332-56-555 % similar Quinolinic acid339155-13-454 % similar Quinolinic acid89-00-954 % similar 3-Nitrophthalic acid603-11-254 % similar 3-Bromopyridine-2-carboxylic acid30683-23-953 % similar 3-Hydroxypicolinic acid874-24-853 % similar

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

Same formula

1,4-Dinitrobenzene100-25-4 2,4-Dinitrosoresorcinol118-02-5 2,5-Pyrazinedicarboxylic acid122-05-4 4-Nitropicolinic acid13509-19-8 4,6-Pyrimidine dicarboxylic acid16490-02-1 5-Nitronicotinic acid2047-49-6 6-Nitropyridine-2-carboxylic acid26893-68-5 5-Nitropicolinic acid30651-24-2

Elsewhere

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