1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine

C14H9BrCl2FN3 — CID 107614172

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H9BrCl2FN3/c1-7(16)14-20-11-6-19-3-2-12(11)21(14)13-9(15)4-8(18)5-10(13)17/h2-7H,1H3
InChIKeyOCTODIXTXQVNAG-UHFFFAOYSA-N
MW389.06 g/mol
LogP5.28
Rot. Bonds2

About 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine

1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine (PubChem CID 107614172) has the molecular formula C14H9BrCl2FN3 and a molecular weight of 389.06 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
PubChem CID107614172
Molecular FormulaC14H9BrCl2FN3
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1-c1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H9BrCl2FN3/c1-7(16)14-20-11-6-19-3-2-12(11)21(14)13-9(15)4-8(18)5-10(13)17/h2-7H,1H3
InChIKeyOCTODIXTXQVNAG-UHFFFAOYSA-N
XLogP5.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.06
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)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

Related Compounds

2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
CID 79274986
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 83079081
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637841
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292083
2-(1-chloroethyl)-1-(3-fluoro-4-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79272888
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine
CID 79273328
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107601622
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine (CID 107614172) is 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine is CC(Cl)c1nc2cnccc2n1-c1c(Cl)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
The InChIKey is OCTODIXTXQVNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FN3/c1-7(16)14-20-11-6-19-3-2-12(11)21(14)13-9(15)4-8(18)5-10(13)17/h2-7H,1H3.
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine?
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine has a molecular weight of 389.06 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 107614172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).