3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine

C13H6Cl4FN3 — CID 86730074

IUPAC3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine
SMILESFc1cc(-n2c(C(Cl)(Cl)Cl)nc3cccnc32)ccc1Cl
InChIInChI=1S/C13H6Cl4FN3/c14-8-4-3-7(6-9(8)18)21-11-10(2-1-5-19-11)20-12(21)13(15,16)17/h1-6H
InChIKeyIFYQCBSGYXYNJT-UHFFFAOYSA-N
MW365.02 g/mol
LogP5.04
Rot. Bonds1

About 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine

3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine (PubChem CID 86730074) has the molecular formula C13H6Cl4FN3 and a molecular weight of 365.02 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine
PubChem CID86730074
Molecular FormulaC13H6Cl4FN3
Molecular Weight365.02 g/mol
Exact Mass362.93
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine
SMILESFc1cc(-n2c(C(Cl)(Cl)Cl)nc3cccnc32)ccc1Cl
InChIInChI=1S/C13H6Cl4FN3/c14-8-4-3-7(6-9(8)18)21-11-10(2-1-5-19-11)20-12(21)13(15,16)17/h1-6H
InChIKeyIFYQCBSGYXYNJT-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.02
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)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 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine (CID 86730074) is 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine is Fc1cc(-n2c(C(Cl)(Cl)Cl)nc3cccnc32)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine?
The InChIKey is IFYQCBSGYXYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4FN3/c14-8-4-3-7(6-9(8)18)21-11-10(2-1-5-19-11)20-12(21)13(15,16)17/h1-6H.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine?
3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine has a molecular weight of 365.02 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-(trichloromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 86730074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).