2-Chloro-5-nitronicotinic acid

C₆H₃ClN₂O₄CAS 42959-38-6202.55 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₆H₃ClN₂O₄
Molar mass: 202.55 g/mol
Exact mass: 201.9781 Da
logP: 1.34Crippen estimate
Polar surface area: 93.3 Å²
H-bond donors / acceptors: 1 / 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

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)

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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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