2-Chloro-3-nitro-5-pyridinecarboxylic acid

C₆H₃ClN₂O₄CAS 7477-10-3202.55 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

7477-10-3

SMILES

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

InChIKey

HCRHNMXCDNACMH-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)

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Names and synonyms

1 names

6-Chloro-5-nitropyridine-3-carboxylic acid

Work with 2-Chloro-3-nitro-5-pyridinecarboxylic 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 acid118-97-863 % similar Methyl 6-chloro-5-nitro-3-pyridinecarboxylate59237-53-562 % similar 4-Chloro-3-nitrobenzoic acid96-99-160 % similar 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-159 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-359 % similar Ethyl 6-chloro-5-nitronicotinate171876-22-558 % similar 2,5-Dichloro-3-nitropyridine21427-62-357 % similar 2-Chloro-3,5-dinitropyridine2578-45-257 % similar

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

Same formula

2-Chloro-5-nitronicotinic acid42959-38-6 2-Chloro-1,3-dinitrobenzene606-21-3 4-Chloro-1,2-dinitrobenzene610-40-2 2-Chloro-5-nitroisonicotinic acid907545-47-5 2,4-Dinitrochlorobenzene97-00-7

Elsewhere

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