4-chloropyridine

C5H4ClN — CID 12288

IUPAC4-chloropyridine
SMILESClc1ccncc1
InChIInChI=1S/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H
InChIKeyPVMNPAUTCMBOMO-UHFFFAOYSA-N
MW113.55 g/mol
LogP1.74
Rot. Bonds

About 4-chloropyridine

4-chloropyridine (PubChem CID 12288) has the molecular formula C5H4ClN and a molecular weight of 113.55 g/mol. Its IUPAC name is 4-chloropyridine.

Molecular Properties

Compound Name4-chloropyridine
PubChem CID12288
Molecular FormulaC5H4ClN
Molecular Weight113.55 g/mol
Exact Mass113.00
IUPAC Name4-chloropyridine
SMILESClc1ccncc1
InChIInChI=1S/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H
InChIKeyPVMNPAUTCMBOMO-UHFFFAOYSA-N
XLogP1.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.55
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridine
CID 1049
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Picolyl chloride hydrochloride
CID 23392
Pyridine N-Oxide
CID 12753
2-Chloropyridine
CID 7977
2-Ethylpyridine
CID 7523
4-Ethylpyridine
CID 10822
3-(Chloromethyl)pyridine hydrochloride
CID 23394

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine?
The IUPAC name of 4-chloropyridine (CID 12288) is 4-chloropyridine.
What is the SMILES notation for 4-chloropyridine?
The canonical SMILES for 4-chloropyridine is Clc1ccncc1.
What is the InChIKey of 4-chloropyridine?
The InChIKey is PVMNPAUTCMBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H.
What are the key properties of 4-chloropyridine?
4-chloropyridine has a molecular weight of 113.55 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine is sourced from PubChem (CID 12288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).