6-Chloro-3-nitropyridine-2-carbonitrile

C₆H₂ClN₃O₂CAS 93683-65-9183.55 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Nitro

Properties

Molecular formula: C₆H₂ClN₃O₂
Molar mass: 183.55 g/mol
Exact mass: 182.9836 Da
logP: 1.51Crippen estimate
Polar surface area: 79.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

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

93683-65-9

SMILES

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

InChIKey

XVIHGTRTKQZJAC-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClN3O2/c7-6-2-1-5(10(11)12)4(3-8)9-6/h1-2H

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Names and synonyms

1 names

6-Chloro-2-cyano-3-nitropyridine

Work with 6-Chloro-3-nitropyridine-2-carbonitrile

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

2,6-Dichloro-3-nitropyridine16013-85-759 % similar 2-Amino-6-chloro-3-nitropyridine136901-10-556 % similar 6-Chloro-2-methyl-3-nitropyridine22280-60-056 % similar 2-Amino-6-chloro-3-nitropyridine27048-04-056 % similar 2-Cyano-3-nitropyridine51315-07-255 % similar 2,3-Dichloro-6-nitrobenzonitrile2112-22-352 % similar 6-Chloro-2-methoxy-3-nitropyridine40851-91-052 % similar 5-Chloro-2-nitrobenzonitrile34662-31-250 % similar

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

Same formula

5-Chloro-3-nitropyridine-2-carbonitrile181123-11-5 2-Chloro-5-nitropyridine-3-carbonitrile31309-08-7

Elsewhere

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