3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine

C15H12BrClFN3 — CID 107601617

IUPAC3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2-c1c(F)cccc1Br
InChIInChI=1S/C15H12BrClFN3/c1-8-6-7-19-15-12(8)20-14(9(2)17)21(15)13-10(16)4-3-5-11(13)18/h3-7,9H,1-2H3
InChIKeyDZLFPHFXRZEOCS-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.93
Rot. Bonds2

About 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine

3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 107601617) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID107601617
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(C)Cl)n2-c1c(F)cccc1Br
InChIInChI=1S/C15H12BrClFN3/c1-8-6-7-19-15-12(8)20-14(9(2)17)21(15)13-10(16)4-3-5-11(13)18/h3-7,9H,1-2H3
InChIKeyDZLFPHFXRZEOCS-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79275780
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107601622
2-(1-chloroethyl)-3-(4-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293501
2-(1-chloroethyl)-7-methyl-3-thiophen-3-ylimidazo[4,5-b]pyridine
CID 79293390
4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601557
1-(2-bromo-5-methylphenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 82746511
2-(1-chloroethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine
CID 79293898
1-(4-bromo-3-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 65437772
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 104780060
3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 82820195
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 82950142

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine (CID 107601617) is 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(C(C)Cl)n2-c1c(F)cccc1Br.
What is the InChIKey of 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is DZLFPHFXRZEOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c1-8-6-7-19-15-12(8)20-14(9(2)17)21(15)13-10(16)4-3-5-11(13)18/h3-7,9H,1-2H3.
What are the key properties of 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 368.64 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 107601617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).