6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine

C13H10ClN3 — CID 141349834

IUPAC6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ccccc1-c1nc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C13H10ClN3/c1-8-4-2-3-5-9(8)13-16-10-6-12(14)15-7-11(10)17-13/h2-7H,1H3,(H,16,17)
InChIKeyZTEIILYHCYITGJ-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.59
Rot. Bonds1

About 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine

6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 141349834) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID141349834
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCc1ccccc1-c1nc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C13H10ClN3/c1-8-4-2-3-5-9(8)13-16-10-6-12(14)15-7-11(10)17-13/h2-7H,1H3,(H,16,17)
InChIKeyZTEIILYHCYITGJ-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 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine (CID 141349834) is 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine is Cc1ccccc1-c1nc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is ZTEIILYHCYITGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-8-4-2-3-5-9(8)13-16-10-6-12(14)15-7-11(10)17-13/h2-7H,1H3,(H,16,17).
What are the key properties of 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine?
6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]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 6-chloro-2-(2-methylphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 141349834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).