chempirical

3-Chloropyridine

C5H4ClNCAS 626-60-8113.54 g/mol

Open in Covalent MOL file
ClN
Aryl halide

Properties

Molecular formula
C5H4ClN
Molar mass
113.54 g/mol
Exact mass
113.0032 Da
Melting point
135 °C
Boiling point
148 °C
logP
1.74Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
626-60-8
SMILES
Clc1cccnc1
InChIKey
PWRBCZZQRRPXAB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H

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Names and synonyms

5 names
  • Pyridine, 3-chloro-
  • m-Chloropyridine
  • NSC 60200
  • 3-Pyridinyl chloride
  • 3-Pyridyl chloride

Work with 3-Chloropyridine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylpyridine108-99-650 % similar 1,3,5-Tri(M-pyrid-3-ylphenyl)benzene921205-03-046 % similar 3-Fluoropyridine372-47-446 % similar 5-Chloropyrimidine17180-94-845 % similar 3,5-Dichloropyridine2457-47-845 % similar 3-Phenylpyridine1008-88-444 % similar 3-Hydroxypyridine109-00-244 % similar 3-Iodopyridine1120-90-744 % similar

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

Same formula

2-Chloropyridine109-09-1 4-Chloropyridine626-61-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia