5-ethynyl-2-(4-methylimidazol-1-yl)pyridine

C11H9N3 — CID 59472788

IUPAC5-ethynyl-2-(4-methylimidazol-1-yl)pyridine
SMILESC#Cc1ccc(-n2cnc(C)c2)nc1
InChIInChI=1S/C11H9N3/c1-3-10-4-5-11(12-6-10)14-7-9(2)13-8-14/h1,4-8H,2H3
InChIKeyYBGQDCAZGBMGJT-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.56
Rot. Bonds1

About 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine

5-ethynyl-2-(4-methylimidazol-1-yl)pyridine (PubChem CID 59472788) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name5-ethynyl-2-(4-methylimidazol-1-yl)pyridine
PubChem CID59472788
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name5-ethynyl-2-(4-methylimidazol-1-yl)pyridine
SMILESC#Cc1ccc(-n2cnc(C)c2)nc1
InChIInChI=1S/C11H9N3/c1-3-10-4-5-11(12-6-10)14-7-9(2)13-8-14/h1,4-8H,2H3
InChIKeyYBGQDCAZGBMGJT-UHFFFAOYSA-N
XLogP1.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.56
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 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine?
The IUPAC name of 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine (CID 59472788) is 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine?
The canonical SMILES for 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine is C#Cc1ccc(-n2cnc(C)c2)nc1.
What is the InChIKey of 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine?
The InChIKey is YBGQDCAZGBMGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-3-10-4-5-11(12-6-10)14-7-9(2)13-8-14/h1,4-8H,2H3.
What are the key properties of 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine?
5-ethynyl-2-(4-methylimidazol-1-yl)pyridine has a molecular weight of 183.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-(4-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 59472788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).