2-(chloromethyl)pyridine

C6H6ClN — CID 23393

IUPAC2-(chloromethyl)pyridine
SMILESClCc1ccccn1
InChIInChI=1S/C6H6ClN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2
InChIKeyNJWIMFZLESWFIM-UHFFFAOYSA-N
MW127.57 g/mol
LogP1.82
Rot. Bonds1

About 2-(chloromethyl)pyridine

2-(chloromethyl)pyridine (PubChem CID 23393) has the molecular formula C6H6ClN and a molecular weight of 127.57 g/mol. Its IUPAC name is 2-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)pyridine
PubChem CID23393
Molecular FormulaC6H6ClN
Molecular Weight127.57 g/mol
Exact Mass127.02
IUPAC Name2-(chloromethyl)pyridine
SMILESClCc1ccccn1
InChIInChI=1S/C6H6ClN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2
InChIKeyNJWIMFZLESWFIM-UHFFFAOYSA-N
XLogP1.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.57
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)pyridine?
The IUPAC name of 2-(chloromethyl)pyridine (CID 23393) is 2-(chloromethyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)pyridine?
The canonical SMILES for 2-(chloromethyl)pyridine is ClCc1ccccn1.
What is the InChIKey of 2-(chloromethyl)pyridine?
The InChIKey is NJWIMFZLESWFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2.
What are the key properties of 2-(chloromethyl)pyridine?
2-(chloromethyl)pyridine has a molecular weight of 127.57 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)pyridine is sourced from PubChem (CID 23393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).