3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine

C15H12BrCl2N3 — CID 107637698

IUPAC3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1c(Br)cccc1-n1c(CCCl)nc2cc(Cl)cnc21
InChIInChI=1S/C15H12BrCl2N3/c1-9-11(16)3-2-4-13(9)21-14(5-6-17)20-12-7-10(18)8-19-15(12)21/h2-4,7-8H,5-6H2,1H3
InChIKeyAZGBDPDCMSHAHU-UHFFFAOYSA-N
MW385.09 g/mol
LogP4.93
Rot. Bonds3

About 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine

3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine (PubChem CID 107637698) has the molecular formula C15H12BrCl2N3 and a molecular weight of 385.09 g/mol. Its IUPAC name is 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine
PubChem CID107637698
Molecular FormulaC15H12BrCl2N3
Molecular Weight385.09 g/mol
Exact Mass382.96
IUPAC Name3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1c(Br)cccc1-n1c(CCCl)nc2cc(Cl)cnc21
InChIInChI=1S/C15H12BrCl2N3/c1-9-11(16)3-2-4-13(9)21-14(5-6-17)20-12-7-10(18)8-19-15(12)21/h2-4,7-8H,5-6H2,1H3
InChIKeyAZGBDPDCMSHAHU-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

3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 107637663
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 107637640
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
CID 79302168
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107791834
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
6-bromo-3-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279160

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine (CID 107637698) is 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine is Cc1c(Br)cccc1-n1c(CCCl)nc2cc(Cl)cnc21.
What is the InChIKey of 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The InChIKey is AZGBDPDCMSHAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2N3/c1-9-11(16)3-2-4-13(9)21-14(5-6-17)20-12-7-10(18)8-19-15(12)21/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[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-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 107637698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).