2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine

C12H8ClIN4 — CID 90271670

IUPAC2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(-c2ncccc2Cl)nc2cc(I)cnc21
InChIInChI=1S/C12H8ClIN4/c1-18-11-9(5-7(14)6-16-11)17-12(18)10-8(13)3-2-4-15-10/h2-6H,1H3
InChIKeyKDQJAWFTZRUNJZ-UHFFFAOYSA-N
MW370.58 g/mol
LogP3.29
Rot. Bonds1

About 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine

2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine (PubChem CID 90271670) has the molecular formula C12H8ClIN4 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine
PubChem CID90271670
Molecular FormulaC12H8ClIN4
Molecular Weight370.58 g/mol
Exact Mass369.95
IUPAC Name2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(-c2ncccc2Cl)nc2cc(I)cnc21
InChIInChI=1S/C12H8ClIN4/c1-18-11-9(5-7(14)6-16-11)17-12(18)10-8(13)3-2-4-15-10/h2-6H,1H3
InChIKeyKDQJAWFTZRUNJZ-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine (CID 90271670) is 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine is Cn1c(-c2ncccc2Cl)nc2cc(I)cnc21.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine?
The InChIKey is KDQJAWFTZRUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIN4/c1-18-11-9(5-7(14)6-16-11)17-12(18)10-8(13)3-2-4-15-10/h2-6H,1H3.
What are the key properties of 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine?
2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine has a molecular weight of 370.58 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 90271670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).