2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine

C14H11ClIN3 — CID 79300786

IUPAC2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2-c1ccc(I)cc1
InChIInChI=1S/C14H11ClIN3/c1-9-6-12-14(17-8-9)19(13(7-15)18-12)11-4-2-10(16)3-5-11/h2-6,8H,7H2,1H3
InChIKeyWXFJHBNHNPHJHI-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.07
Rot. Bonds2

About 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79300786) has the molecular formula C14H11ClIN3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79300786
Molecular FormulaC14H11ClIN3
Molecular Weight383.62 g/mol
Exact Mass382.97
IUPAC Name2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2-c1ccc(I)cc1
InChIInChI=1S/C14H11ClIN3/c1-9-6-12-14(17-8-9)19(13(7-15)18-12)11-4-2-10(16)3-5-11/h2-6,8H,7H2,1H3
InChIKeyWXFJHBNHNPHJHI-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine (CID 79300786) is 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCl)n2-c1ccc(I)cc1.
What is the InChIKey of 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is WXFJHBNHNPHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClIN3/c1-9-6-12-14(17-8-9)19(13(7-15)18-12)11-4-2-10(16)3-5-11/h2-6,8H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 383.62 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79300786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).