2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine

C15H12Cl2IN3 — CID 107637966

IUPAC2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2-c1ccc(Cl)cc1I
InChIInChI=1S/C15H12Cl2IN3/c1-9-5-7-19-15-14(9)20-13(4-6-16)21(15)12-3-2-10(17)8-11(12)18/h2-3,5,7-8H,4,6H2,1H3
InChIKeyNROAMULTOVPOCU-UHFFFAOYSA-N
MW432.09 g/mol
LogP4.77
Rot. Bonds3

About 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 107637966) has the molecular formula C15H12Cl2IN3 and a molecular weight of 432.09 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID107637966
Molecular FormulaC15H12Cl2IN3
Molecular Weight432.09 g/mol
Exact Mass430.95
IUPAC Name2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2-c1ccc(Cl)cc1I
InChIInChI=1S/C15H12Cl2IN3/c1-9-5-7-19-15-14(9)20-13(4-6-16)21(15)12-3-2-10(17)8-11(12)18/h2-3,5,7-8H,4,6H2,1H3
InChIKeyNROAMULTOVPOCU-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.09
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029
2-(2-chloroethyl)-3-(4-fluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79275507
2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79294083
3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 103480677
2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
CID 79276035
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79277940
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947
3-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107576170
2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine (CID 107637966) is 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2-c1ccc(Cl)cc1I.
What is the InChIKey of 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is NROAMULTOVPOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2IN3/c1-9-5-7-19-15-14(9)20-13(4-6-16)21(15)12-3-2-10(17)8-11(12)18/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 432.09 g/mol, XLogP of 4.77, 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-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 107637966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).