2-Hydroxy-5-nitronicotinic acid

C₆H₄N₂O₅CAS 6854-07-5184.11 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

Danger

H272 May intensify fire; oxidizer14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P220, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

6854-07-5

SMILES

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

InChIKey

JVLVOEQOJYFQKR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Hydroxy-5-nitronicotinic 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

5-Nitro-1,2,3-benzenetricarboxylic acid3807-81-659 % similar 4-Nitrophthalic acid610-27-557 % similar 4,4'-Dinitrodiphenic acid20246-81-556 % similar 2,5-Dinitrobenzoic acid610-28-655 % similar 5-Nitroindole-3-carboxylic acid6958-37-854 % similar 5-Chloro-2-hydroxynicotinic acid38076-80-154 % similar 5-Nitrosalicylic acid96-97-953 % similar 2-Methyl-5-nitrobenzoic acid1975-52-652 % 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 6-Hydroxy-5-nitropyridine-3-carboxylic acid6635-31-0

Elsewhere

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