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

C16H15BrClN3 — CID 79275780

IUPAC3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C(C)Cl)nc3c(C)ccnc32)cc1Br
InChIInChI=1S/C16H15BrClN3/c1-9-4-5-12(8-13(9)17)21-15(11(3)18)20-14-10(2)6-7-19-16(14)21/h4-8,11H,1-3H3
InChIKeyITSYXKHLSWFSOI-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.10
Rot. Bonds2

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

3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79275780) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79275780
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C(C)Cl)nc3c(C)ccnc32)cc1Br
InChIInChI=1S/C16H15BrClN3/c1-9-4-5-12(8-13(9)17)21-15(11(3)18)20-14-10(2)6-7-19-16(14)21/h4-8,11H,1-3H3
InChIKeyITSYXKHLSWFSOI-UHFFFAOYSA-N
XLogP5.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.10
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-(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
3-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107601617
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 79293274
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
2-(1-chloroethyl)-3-(cyclohexylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294089
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 82950142
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
CID 79276323
N-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004828

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine (CID 79275780) is 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccc(-n2c(C(C)Cl)nc3c(C)ccnc32)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is ITSYXKHLSWFSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-9-4-5-12(8-13(9)17)21-15(11(3)18)20-14-10(2)6-7-19-16(14)21/h4-8,11H,1-3H3.
What are the key properties of 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine?
3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylphenyl)-2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79275780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).