2-Chloro-5-nitroisonicotinic acid

C₆H₃ClN₂O₄CAS 907545-47-5202.55 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

907545-47-5

SMILES

C1=C(C(=CN=C1Cl)[N+](=O)[O-])C(=O)O

InChIKey

YIKBSICAFIIUER-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-5-nitro isonicotinic acid

Work with 2-Chloro-5-nitroisonicotinic 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-Chloro-2-nitrobenzoic acid2516-95-258 % similar 2,4-Dichloro-5-nitropyridine4487-56-357 % similar 2,5-Dichloroisonicotinic acid88912-26-957 % similar 3-Nitroisonicotinic acid59290-82-356 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-955 % similar 2-Chloro-5-nitropyridin-4-amine2604-39-955 % similar 5-Amino-2-chloroisonicotinic acid58483-95-755 % similar 5-Bromo-2-chloroisonicotinic acid886365-31-755 % 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-3-nitro-5-pyridinecarboxylic acid7477-10-3 2,4-Dinitrochlorobenzene97-00-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook