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

C15H13ClIN3 — CID 79294083

IUPAC2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2-c1cccc(I)c1
InChIInChI=1S/C15H13ClIN3/c1-10-6-8-18-15-14(10)19-13(5-7-16)20(15)12-4-2-3-11(17)9-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeySFQHQCJYEAGFFO-UHFFFAOYSA-N
MW397.65 g/mol
LogP4.11
Rot. Bonds3

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

2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79294083) has the molecular formula C15H13ClIN3 and a molecular weight of 397.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79294083
Molecular FormulaC15H13ClIN3
Molecular Weight397.65 g/mol
Exact Mass396.98
IUPAC Name2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2-c1cccc(I)c1
InChIInChI=1S/C15H13ClIN3/c1-10-6-8-18-15-14(10)19-13(5-7-16)20(15)12-4-2-3-11(17)9-12/h2-4,6,8-9H,5,7H2,1H3
InChIKeySFQHQCJYEAGFFO-UHFFFAOYSA-N
XLogP4.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 54.11
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-(4-fluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79275507
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-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
3-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107576170
2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 107637966
2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293210
2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029
3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 103480677
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
3-(1-benzothiophen-5-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79278127
2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79362792

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine (CID 79294083) is 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2-c1cccc(I)c1.
What is the InChIKey of 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is SFQHQCJYEAGFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN3/c1-10-6-8-18-15-14(10)19-13(5-7-16)20(15)12-4-2-3-11(17)9-12/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 397.65 g/mol, XLogP of 4.11, 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-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79294083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).