2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine

C14H9ClF3N3 — CID 79276035

IUPAC2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9ClF3N3/c1-7-4-5-19-14-13(7)20-10(6-15)21(14)9-3-2-8(16)11(17)12(9)18/h2-5H,6H2,1H3
InChIKeyHINYFYBYSNVONI-UHFFFAOYSA-N
MW311.69 g/mol
LogP3.89
Rot. Bonds2

About 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 79276035) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
PubChem CID79276035
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9ClF3N3/c1-7-4-5-19-14-13(7)20-10(6-15)21(14)9-3-2-8(16)11(17)12(9)18/h2-5H,6H2,1H3
InChIKeyHINYFYBYSNVONI-UHFFFAOYSA-N
XLogP3.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]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-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine (CID 79276035) is 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2-c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is HINYFYBYSNVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c1-7-4-5-19-14-13(7)20-10(6-15)21(14)9-3-2-8(16)11(17)12(9)18/h2-5H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 311.69 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79276035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).