2-chloropyridine

C5H4ClN — CID 7977

IUPAC2-chloropyridine
SMILESClc1ccccn1
InChIInChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
InChIKeyOKDGRDCXVWSXDC-UHFFFAOYSA-N
MW113.55 g/mol
LogP1.74
Rot. Bonds

About 2-chloropyridine

2-chloropyridine (PubChem CID 7977) has the molecular formula C5H4ClN and a molecular weight of 113.55 g/mol. Its IUPAC name is 2-chloropyridine.

Molecular Properties

Compound Name2-chloropyridine
PubChem CID7977
Molecular FormulaC5H4ClN
Molecular Weight113.55 g/mol
Exact Mass113.00
IUPAC Name2-chloropyridine
SMILESClc1ccccn1
InChIInChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
InChIKeyOKDGRDCXVWSXDC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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
3-(Chloromethyl)pyridine hydrochloride
CID 23394
3-Chloropyridine
CID 12287
2,6-Dichloropyridine
CID 16989
3-Vinylpyridine
CID 14272

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine?
The IUPAC name of 2-chloropyridine (CID 7977) is 2-chloropyridine.
What is the SMILES notation for 2-chloropyridine?
The canonical SMILES for 2-chloropyridine is Clc1ccccn1.
What is the InChIKey of 2-chloropyridine?
The InChIKey is OKDGRDCXVWSXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H.
What are the key properties of 2-chloropyridine?
2-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 2-chloropyridine is sourced from PubChem (CID 7977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).