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

C13H10ClN3 — CID 82883627

IUPAC2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(Cl)cc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C13H10ClN3/c1-8-4-5-9(14)7-10(8)12-16-11-3-2-6-15-13(11)17-12/h2-7H,1H3,(H,15,16,17)
InChIKeyYEUPWWIQAOESML-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.59
Rot. Bonds1

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

2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 82883627) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID82883627
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(Cl)cc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C13H10ClN3/c1-8-4-5-9(14)7-10(8)12-16-11-3-2-6-15-13(11)17-12/h2-7H,1H3,(H,15,16,17)
InChIKeyYEUPWWIQAOESML-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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine (CID 82883627) is 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine is Cc1ccc(Cl)cc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is YEUPWWIQAOESML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-8-4-5-9(14)7-10(8)12-16-11-3-2-6-15-13(11)17-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine?
2-(5-chloro-2-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 2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 82883627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).