3-(chloromethyl)pyridine;hydrochloride

C6H7Cl2N — CID 23394

IUPAC3-(chloromethyl)pyridine;hydrochloride
SMILESCl.ClCc1cccnc1
InChIInChI=1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
InChIKeyUZGLOGCJCWBBIV-UHFFFAOYSA-N
MW164.04 g/mol
LogP2.24
Rot. Bonds1

About 3-(chloromethyl)pyridine;hydrochloride

3-(chloromethyl)pyridine;hydrochloride (PubChem CID 23394) has the molecular formula C6H7Cl2N and a molecular weight of 164.04 g/mol. Its IUPAC name is 3-(chloromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)pyridine;hydrochloride
PubChem CID23394
Molecular FormulaC6H7Cl2N
Molecular Weight164.04 g/mol
Exact Mass163.00
IUPAC Name3-(chloromethyl)pyridine;hydrochloride
SMILESCl.ClCc1cccnc1
InChIInChI=1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
InChIKeyUZGLOGCJCWBBIV-UHFFFAOYSA-N
XLogP2.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.04
LogP ≤ 52.24
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 3-(chloromethyl)pyridine;hydrochloride?
The IUPAC name of 3-(chloromethyl)pyridine;hydrochloride (CID 23394) is 3-(chloromethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)pyridine;hydrochloride?
The canonical SMILES for 3-(chloromethyl)pyridine;hydrochloride is Cl.ClCc1cccnc1.
What is the InChIKey of 3-(chloromethyl)pyridine;hydrochloride?
The InChIKey is UZGLOGCJCWBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H.
What are the key properties of 3-(chloromethyl)pyridine;hydrochloride?
3-(chloromethyl)pyridine;hydrochloride has a molecular weight of 164.04 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)pyridine;hydrochloride is sourced from PubChem (CID 23394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).