4-Chloropyridine

C5H4ClNCAS 626-61-9113.54 g/mol

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ClN
Aryl halide

Properties

Molecular formula
C5H4ClN
Molar mass
113.54 g/mol
Exact mass
113.0032 Da
Density
1.2 g/mL (at 25 °C)
Melting point
−43.5 °C
Boiling point
147.5 °C
pKa
3.84 (conjugate acid)
Water solubility
slightly soluble
logP
1.74Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
626-61-9
SMILES
Clc1ccncc1
InChIKey
PVMNPAUTCMBOMO-UHFFFAOYSA-N
InChI
InChI=1S/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H

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Names and synonyms

2 names
  • Pyridine, 4-chloro-
  • γ-Chloropyridine

Work with 4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Chloropyridine hydrochloride7379-35-3Salt

Similar compounds

1,4-Dichlorobenzene106-46-753 % similar 4-(4'-Chlorobenzoyl)pyridine14548-48-252 % similar 4,4'-Dichloro-2,2'-bipyridine1762-41-048 % similar Tri(pyridin-4-yl)amine153467-50-647 % similar 4,4′-Bipyridine553-26-447 % similar 4-Chlorobenzenethiol106-54-745 % similar Chlorobenzene108-90-744 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloropyridine109-09-1 3-Chloropyridine626-60-8

Elsewhere

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