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

C15H12Cl3N3 — CID 79279269

IUPAC2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3N3/c1-9-6-12-15(19-8-9)21(14(20-12)4-5-16)13-7-10(17)2-3-11(13)18/h2-3,6-8H,4-5H2,1H3
InChIKeyIOFYLHFJYMSNAU-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.82
Rot. Bonds3

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

2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79279269) has the molecular formula C15H12Cl3N3 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79279269
Molecular FormulaC15H12Cl3N3
Molecular Weight340.64 g/mol
Exact Mass339.01
IUPAC Name2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3N3/c1-9-6-12-15(19-8-9)21(14(20-12)4-5-16)13-7-10(17)2-3-11(13)18/h2-3,6-8H,4-5H2,1H3
InChIKeyIOFYLHFJYMSNAU-UHFFFAOYSA-N
XLogP4.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 54.82
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-(2-chloroethyl)-3-(2-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278706
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79280178
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279456
3-(4-bromophenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300717
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107529559
2-(chloromethyl)-3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300713
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279129

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine (CID 79279269) is 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is IOFYLHFJYMSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3/c1-9-6-12-15(19-8-9)21(14(20-12)4-5-16)13-7-10(17)2-3-11(13)18/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 340.64 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79279269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).