4-Nitropicolinic acid

C₆H₄N₂O₄CAS 13509-19-8168.11 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

Identifiers

CAS number

13509-19-8

SMILES

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

InChIKey

USTVSOYPMQZLSA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Nitropicolinic 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

4,4'-Dinitrodiphenic acid20246-81-559 % similar 4-Nitrophthalic acid610-27-556 % similar 2-Fluoro-4-nitropyridine18614-46-555 % similar 4-Nitro-2(1H)-pyridinone4487-51-855 % similar 3-Nitrobenzoic acid121-92-655 % similar Lutidinic acid499-80-954 % similar 2,5-Dinitrobenzoic acid610-28-654 % similar 2,4-Dinitrobenzoic acid610-30-054 % 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 4,6-Pyrimidine dicarboxylic acid16490-02-1 5-Nitronicotinic acid2047-49-6 6-Nitropyridine-2-carboxylic acid26893-68-5 5-Nitropicolinic acid30651-24-2 2-Nitro-4-pyridinecarboxylic acid33225-74-0

Elsewhere

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