3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine

C15H11N3 — CID 50914184

IUPAC3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine
SMILESCn1cnc2cc(C#Cc3ccccc3)cnc21
InChIInChI=1S/C15H11N3/c1-18-11-17-14-9-13(10-16-15(14)18)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3
InChIKeyGOZOOQBAFUIOQS-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.37
Rot. Bonds

About 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine

3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine (PubChem CID 50914184) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine
PubChem CID50914184
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine
SMILESCn1cnc2cc(C#Cc3ccccc3)cnc21
InChIInChI=1S/C15H11N3/c1-18-11-17-14-9-13(10-16-15(14)18)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3
InChIKeyGOZOOQBAFUIOQS-UHFFFAOYSA-N
XLogP2.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine (CID 50914184) is 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine is Cn1cnc2cc(C#Cc3ccccc3)cnc21.
What is the InChIKey of 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine?
The InChIKey is GOZOOQBAFUIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-18-11-17-14-9-13(10-16-15(14)18)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3.
What are the key properties of 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine?
3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine has a molecular weight of 233.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-phenylethynyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 50914184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).