5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine

C13H10ClN3 — CID 24904041

IUPAC5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3nc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C13H10ClN3/c1-8-3-2-4-9(7-8)12-15-10-5-6-11(14)16-13(10)17-12/h2-7H,1H3,(H,15,16,17)
InChIKeyLFKAJKINPRAGQZ-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.59
Rot. Bonds1

About 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine

5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 24904041) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID24904041
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3nc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C13H10ClN3/c1-8-3-2-4-9(7-8)12-15-10-5-6-11(14)16-13(10)17-12/h2-7H,1H3,(H,15,16,17)
InChIKeyLFKAJKINPRAGQZ-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine (CID 24904041) is 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine is Cc1cccc(-c2nc3nc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LFKAJKINPRAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-8-3-2-4-9(7-8)12-15-10-5-6-11(14)16-13(10)17-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 243.70 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 24904041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).