3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine

C16H15BrClN3 — CID 79279280

IUPAC3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrClN3/c1-11-7-14-16(19-9-11)21(15(20-14)5-6-18)10-12-3-2-4-13(17)8-12/h2-4,7-9H,5-6,10H2,1H3
InChIKeyAYLPJPRGBQNSTB-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.33
Rot. Bonds4

About 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine

3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79279280) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79279280
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrClN3/c1-11-7-14-16(19-9-11)21(15(20-14)5-6-18)10-12-3-2-4-13(17)8-12/h2-4,7-9H,5-6,10H2,1H3
InChIKeyAYLPJPRGBQNSTB-UHFFFAOYSA-N
XLogP4.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.33
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-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 79278369
3-(4-bromophenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300717
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 106036574
[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanamine
CID 94758182
6-bromo-2-(2-chloroethyl)-3-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79302336
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
CID 103463014
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728
5-[[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 79302970
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine (CID 79279280) is 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is AYLPJPRGBQNSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-11-7-14-16(19-9-11)21(15(20-14)5-6-18)10-12-3-2-4-13(17)8-12/h2-4,7-9H,5-6,10H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine?
3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 364.67 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79279280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).