2-Chloro-5-nitronicotinic acid

C6H3ClN2O4CAS 42959-38-6202.55 g/mol

Open in Covalent MOL file
NOHOClN+OO−
Aryl halideCarboxylic acidNitro

Properties

Molecular formula
C6H3ClN2O4
Molar mass
202.55 g/mol
Exact mass
201.9781 Da
logP
1.34Crippen estimate
Polar surface area
93.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
42959-38-6
SMILES
C1=C(C=NC(=C1C(=O)O)Cl)[N+](=O)[O-]
InChIKey
WOFZRBCITDVRON-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H,10,11)

Weigh it out

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Work with 2-Chloro-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

4,4'-Dinitrodiphenic acid20246-81-559 % similar 2-Chloro-5-nitrobenzoic acid2516-96-358 % similar 2,3-Dichloro-5-nitropyridine22353-40-857 % similar 2-Chloro-3,5-dinitropyridine2578-45-257 % similar 5-Nitro-1,2,3-benzenetricarboxylic acid3807-81-657 % similar 2,5-Dichloropyridine-3-carboxylic acid59782-85-357 % similar 2-Chloro-3,5-dinitrobenzoic acid2497-91-857 % similar 4-Nitrophthalic acid610-27-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-1,3-dinitrobenzene606-21-3 4-Chloro-1,2-dinitrobenzene610-40-2 2-Chloro-3-nitro-5-pyridinecarboxylic acid7477-10-3 2-Chloro-5-nitroisonicotinic acid907545-47-5 2,4-Dinitrochlorobenzene97-00-7

Elsewhere

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