6-Hydroxy-5-nitropyridine-3-carboxylic acid

C₆H₄N₂O₅CAS 6635-31-0184.11 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro

Properties

Molecular formula: C₆H₄N₂O₅
Molar mass: 184.11 g/mol
Exact mass: 184.0120 Da
logP: -0.02Crippen estimate
Polar surface area: 113.3 Å²
H-bond donors / acceptors: 2 / 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

6635-31-0

SMILES

C1=C(C(=O)NC=C1C(=O)O)[N+](=O)[O-]

InChIKey

VJMXJGVEVASJOD-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11)

Weigh it out

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

Names and synonyms

1 names

6-Hydroxy-5-nitronicotinic acid

Work with 6-Hydroxy-5-nitropyridine-3-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

4-Chloro-3,5-dinitrobenzoic acid118-97-860 % similar 5-Bromo-6-hydroxynicotinic acid41668-13-757 % similar 3,4-Dinitrobenzoic acid528-45-057 % similar 4-Methyl-3,5-dinitrobenzoic acid16533-71-456 % similar Nitroterephthalic acid610-29-755 % similar 5-Chloro-2-hydroxy-3-nitropyridine21427-61-254 % similar 5-Chloro-6-hydroxy-3-pyridinecarboxylic acid54127-63-854 % similar 2-Hydroxy-5-methyl-3-nitropyridine7464-14-454 % similar

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

Same formula

2,5-Dinitrophenol329-71-5 2,4-Dinitrophenol51-28-5 2,6-Dinitrophenol573-56-8 2-Hydroxy-5-nitronicotinic acid6854-07-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook