2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine

C15H13ClIN3O — CID 115322637

IUPAC2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(-c3ccc(I)cc3)c2n1
InChIInChI=1S/C15H13ClIN3O/c1-21-14-7-6-12-15(19-14)20(13(18-12)8-9-16)11-4-2-10(17)3-5-11/h2-7H,8-9H2,1H3
InChIKeyUXPYMNHKNJDJRI-UHFFFAOYSA-N
MW413.65 g/mol
LogP3.82
Rot. Bonds4

About 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 115322637) has the molecular formula C15H13ClIN3O and a molecular weight of 413.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine
PubChem CID115322637
Molecular FormulaC15H13ClIN3O
Molecular Weight413.65 g/mol
Exact Mass412.98
IUPAC Name2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(-c3ccc(I)cc3)c2n1
InChIInChI=1S/C15H13ClIN3O/c1-21-14-7-6-12-15(19-14)20(13(18-12)8-9-16)11-4-2-10(17)3-5-11/h2-7H,8-9H2,1H3
InChIKeyUXPYMNHKNJDJRI-UHFFFAOYSA-N
XLogP3.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(chloromethyl)-3-(3,5-dimethylphenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322665
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323122
2-(2-chloroethyl)-3-(4-iodophenyl)benzimidazole-5-carbonitrile
CID 104715345
2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
2-(2-chloroethyl)-5-methoxy-3-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-b]pyridine
CID 106295014
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113467325
2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141074
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 115322724

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine (CID 115322637) is 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine is COc1ccc2nc(CCCl)n(-c3ccc(I)cc3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is UXPYMNHKNJDJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN3O/c1-21-14-7-6-12-15(19-14)20(13(18-12)8-9-16)11-4-2-10(17)3-5-11/h2-7H,8-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 413.65 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 115322637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).