4-[2-(chloromethyl)phenyl]pyridine;hydrochloride

C12H11Cl2N — CID 89497052

IUPAC4-[2-(chloromethyl)phenyl]pyridine;hydrochloride
SMILESCl.ClCc1ccccc1-c1ccncc1
InChIInChI=1S/C12H10ClN.ClH/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10;/h1-8H,9H2;1H
InChIKeyZEZIDVQGMGTAGO-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.91
Rot. Bonds2

About 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride

4-[2-(chloromethyl)phenyl]pyridine;hydrochloride (PubChem CID 89497052) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[2-(chloromethyl)phenyl]pyridine;hydrochloride
PubChem CID89497052
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name4-[2-(chloromethyl)phenyl]pyridine;hydrochloride
SMILESCl.ClCc1ccccc1-c1ccncc1
InChIInChI=1S/C12H10ClN.ClH/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10;/h1-8H,9H2;1H
InChIKeyZEZIDVQGMGTAGO-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
The IUPAC name of 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride (CID 89497052) is 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
The canonical SMILES for 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride is Cl.ClCc1ccccc1-c1ccncc1.
What is the InChIKey of 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
The InChIKey is ZEZIDVQGMGTAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN.ClH/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10;/h1-8H,9H2;1H.
What are the key properties of 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
4-[2-(chloromethyl)phenyl]pyridine;hydrochloride has a molecular weight of 240.13 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)phenyl]pyridine;hydrochloride is sourced from PubChem (CID 89497052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).