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

C16H15BrClN3 — CID 79276192

IUPAC3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(CCCl)nc3c(C)ccnc32)ccc1Br
InChIInChI=1S/C16H15BrClN3/c1-10-6-8-19-16-15(10)20-14(5-7-18)21(16)12-3-4-13(17)11(2)9-12/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyARNUUJRZINXYSS-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.58
Rot. Bonds3

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

3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79276192) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79276192
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(CCCl)nc3c(C)ccnc32)ccc1Br
InChIInChI=1S/C16H15BrClN3/c1-10-6-8-19-16-15(10)20-14(5-7-18)21(16)12-3-4-13(17)11(2)9-12/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyARNUUJRZINXYSS-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine (CID 79276192) is 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine is Cc1cc(-n2c(CCCl)nc3c(C)ccnc32)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is ARNUUJRZINXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-10-6-8-19-16-15(10)20-14(5-7-18)21(16)12-3-4-13(17)11(2)9-12/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79276192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).