5-Nitropicolinic acid

C₆H₄N₂O₄CAS 30651-24-2168.11 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

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P403+P233, P405, P501

Identifiers

CAS number

30651-24-2

SMILES

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

InChIKey

QKYRCTVBMNXTBT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

5-Nitropyridine-2-carboxylic acid

Work with 5-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-Nitrobenzoic acid62-23-758 % similar 4,4'-Dinitrodiphenic acid20246-81-556 % similar 2-Fluoro-5-nitropyridine456-24-654 % similar 5-Nitro-2(1H)-pyridinone5418-51-954 % similar 4-Nitrophthalic acid610-27-554 % similar 2-Chloro-5-nitronicotinic acid42959-38-653 % similar 2,5-Pyridinedicarboxylic acid100-26-553 % similar 5-Hydroxypyridine-2-carboxylic acid15069-92-851 % 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 2-Nitro-4-pyridinecarboxylic acid33225-74-0

Elsewhere

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