3-Chloropyridine
Properties
- Molecular formula
- C5H4ClN
- Molar mass
- 113.54 g/mol
- Exact mass
- 113.0032 Da
- Melting point
- 135 °C
- Boiling point
- 148 °C
- pKa
- 2.84 (conjugate acid)
- Flash point
- 66 °C (closed cup)
- Water solubility
- slightly soluble
- logP
- 1.74Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor12% of notifiers
- H302 Harmful if swallowed92% of notifiers
- H312 Harmful in contact with skin82% of notifiers
- H315 Causes skin irritation16% of notifiers
- H332 Harmful if inhaled82% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
626-60-8SMILES
Clc1cccnc1InChIKey
PWRBCZZQRRPXAB-UHFFFAOYSA-NInChI
InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
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
4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine921205-03-046 % 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.