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

C15H12BrCl2N3 — CID 103480677

IUPAC3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2-c1cccc(Cl)c1Br
InChIInChI=1S/C15H12BrCl2N3/c1-9-6-8-19-15-14(9)20-12(5-7-17)21(15)11-4-2-3-10(18)13(11)16/h2-4,6,8H,5,7H2,1H3
InChIKeyUSABATMJABTCHM-UHFFFAOYSA-N
MW385.09 g/mol
LogP4.93
Rot. Bonds3

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

3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 103480677) has the molecular formula C15H12BrCl2N3 and a molecular weight of 385.09 g/mol. Its IUPAC name is 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID103480677
Molecular FormulaC15H12BrCl2N3
Molecular Weight385.09 g/mol
Exact Mass382.96
IUPAC Name3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2-c1cccc(Cl)c1Br
InChIInChI=1S/C15H12BrCl2N3/c1-9-6-8-19-15-14(9)20-12(5-7-17)21(15)11-4-2-3-10(18)13(11)16/h2-4,6,8H,5,7H2,1H3
InChIKeyUSABATMJABTCHM-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.09
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

2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029
2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 107637966
3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293211
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79294083
3-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107576170
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-(2-chloroethyl)-3-(4-fluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79275507
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79277940
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine (CID 103480677) is 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2-c1cccc(Cl)c1Br.
What is the InChIKey of 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is USABATMJABTCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2N3/c1-9-6-8-19-15-14(9)20-12(5-7-17)21(15)11-4-2-3-10(18)13(11)16/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 385.09 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 103480677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).