2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine

C15H15ClN4 — CID 79292472

IUPAC2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(C(C)Cl)nc3cnccc32)cn1
InChIInChI=1S/C15H15ClN4/c1-10-3-4-12(7-18-10)9-20-14-5-6-17-8-13(14)19-15(20)11(2)16/h3-8,11H,9H2,1-2H3
InChIKeyKSLSNPDNHVTBQJ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.48
Rot. Bonds3

About 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine (PubChem CID 79292472) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
PubChem CID79292472
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(C(C)Cl)nc3cnccc32)cn1
InChIInChI=1S/C15H15ClN4/c1-10-3-4-12(7-18-10)9-20-14-5-6-17-8-13(14)19-15(20)11(2)16/h3-8,11H,9H2,1-2H3
InChIKeyKSLSNPDNHVTBQJ-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]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 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine (CID 79292472) is 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine is Cc1ccc(Cn2c(C(C)Cl)nc3cnccc32)cn1.
What is the InChIKey of 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is KSLSNPDNHVTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-3-4-12(7-18-10)9-20-14-5-6-17-8-13(14)19-15(20)11(2)16/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 286.77 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).