3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine

C9H9ClN2 — CID 10726071

IUPAC3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2c(CCl)cnc12
InChIInChI=1S/C9H9ClN2/c1-7-3-2-4-12-8(5-10)6-11-9(7)12/h2-4,6H,5H2,1H3
InChIKeyCQHJFYKVBUAKNZ-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.38
Rot. Bonds1

About 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine

3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine (PubChem CID 10726071) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
PubChem CID10726071
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2c(CCl)cnc12
InChIInChI=1S/C9H9ClN2/c1-7-3-2-4-12-8(5-10)6-11-9(7)12/h2-4,6H,5H2,1H3
InChIKeyCQHJFYKVBUAKNZ-UHFFFAOYSA-N
XLogP2.38
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine 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 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine (CID 10726071) is 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine is Cc1cccn2c(CCl)cnc12.
What is the InChIKey of 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine?
The InChIKey is CQHJFYKVBUAKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-7-3-2-4-12-8(5-10)6-11-9(7)12/h2-4,6H,5H2,1H3.
What are the key properties of 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine?
3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine has a molecular weight of 180.64 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 10726071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).