2-(chloromethyl)pyridine;hydron;chloride

C6H7Cl2N — CID 67269716

IUPAC2-(chloromethyl)pyridine;hydron;chloride
SMILESClCc1ccccn1.[Cl-].[H+]
InChIInChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
InChIKeyJPMRGPPMXHGKRO-UHFFFAOYSA-N
MW164.04 g/mol
LogP-1.06
Rot. Bonds1

About 2-(chloromethyl)pyridine;hydron;chloride

2-(chloromethyl)pyridine;hydron;chloride (PubChem CID 67269716) has the molecular formula C6H7Cl2N and a molecular weight of 164.04 g/mol. Its IUPAC name is 2-(chloromethyl)pyridine;hydron;chloride.

Molecular Properties

Compound Name2-(chloromethyl)pyridine;hydron;chloride
PubChem CID67269716
Molecular FormulaC6H7Cl2N
Molecular Weight164.04 g/mol
Exact Mass163.00
IUPAC Name2-(chloromethyl)pyridine;hydron;chloride
SMILESClCc1ccccn1.[Cl-].[H+]
InChIInChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
InChIKeyJPMRGPPMXHGKRO-UHFFFAOYSA-N
XLogP-1.06
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 ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-ethylpyridine;sulfane
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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)pyridine;hydron;chloride?
The IUPAC name of 2-(chloromethyl)pyridine;hydron;chloride (CID 67269716) is 2-(chloromethyl)pyridine;hydron;chloride.
What is the SMILES notation for 2-(chloromethyl)pyridine;hydron;chloride?
The canonical SMILES for 2-(chloromethyl)pyridine;hydron;chloride is ClCc1ccccn1.[Cl-].[H+].
What is the InChIKey of 2-(chloromethyl)pyridine;hydron;chloride?
The InChIKey is JPMRGPPMXHGKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H.
What are the key properties of 2-(chloromethyl)pyridine;hydron;chloride?
2-(chloromethyl)pyridine;hydron;chloride has a molecular weight of 164.04 g/mol, XLogP of -1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)pyridine;hydron;chloride is sourced from PubChem (CID 67269716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).