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

C16H15BrClN3 — CID 79280595

IUPAC6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-n2c(CCCl)nc3cc(Br)cnc32)c1C
InChIInChI=1S/C16H15BrClN3/c1-10-4-3-5-14(11(10)2)21-15(6-7-18)20-13-8-12(17)9-19-16(13)21/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCHIPEKVRXWSHRW-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.58
Rot. Bonds3

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

6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79280595) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
PubChem CID79280595
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-n2c(CCCl)nc3cc(Br)cnc32)c1C
InChIInChI=1S/C16H15BrClN3/c1-10-4-3-5-14(11(10)2)21-15(6-7-18)20-13-8-12(17)9-19-16(13)21/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCHIPEKVRXWSHRW-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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Related Compounds

6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79279326
3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 107637698
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
6-bromo-3-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279160
6-bromo-2-(2-chloroethyl)-3-(3-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79278413
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
CID 79302168
6-bromo-2-(2-chloroethyl)-3-(3-ethylphenyl)imidazo[4,5-b]pyridine
CID 79280597
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107529559

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine (CID 79280595) is 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine is Cc1cccc(-n2c(CCCl)nc3cc(Br)cnc32)c1C.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is CHIPEKVRXWSHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-10-4-3-5-14(11(10)2)21-15(6-7-18)20-13-8-12(17)9-19-16(13)21/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[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 6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79280595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).