4-ethynyl-2-(3-methylphenyl)pyridine

C14H11N — CID 171365551

IUPAC4-ethynyl-2-(3-methylphenyl)pyridine
SMILESC#Cc1ccnc(-c2cccc(C)c2)c1
InChIInChI=1S/C14H11N/c1-3-12-7-8-15-14(10-12)13-6-4-5-11(2)9-13/h1,4-10H,2H3
InChIKeyJBECKBLSVCEGKG-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.04
Rot. Bonds1

About 4-ethynyl-2-(3-methylphenyl)pyridine

4-ethynyl-2-(3-methylphenyl)pyridine (PubChem CID 171365551) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-ethynyl-2-(3-methylphenyl)pyridine.

Molecular Properties

Compound Name4-ethynyl-2-(3-methylphenyl)pyridine
PubChem CID171365551
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name4-ethynyl-2-(3-methylphenyl)pyridine
SMILESC#Cc1ccnc(-c2cccc(C)c2)c1
InChIInChI=1S/C14H11N/c1-3-12-7-8-15-14(10-12)13-6-4-5-11(2)9-13/h1,4-10H,2H3
InChIKeyJBECKBLSVCEGKG-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-ethynyl-2-(3-methylphenyl)pyridine?
The IUPAC name of 4-ethynyl-2-(3-methylphenyl)pyridine (CID 171365551) is 4-ethynyl-2-(3-methylphenyl)pyridine.
What is the SMILES notation for 4-ethynyl-2-(3-methylphenyl)pyridine?
The canonical SMILES for 4-ethynyl-2-(3-methylphenyl)pyridine is C#Cc1ccnc(-c2cccc(C)c2)c1.
What is the InChIKey of 4-ethynyl-2-(3-methylphenyl)pyridine?
The InChIKey is JBECKBLSVCEGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-3-12-7-8-15-14(10-12)13-6-4-5-11(2)9-13/h1,4-10H,2H3.
What are the key properties of 4-ethynyl-2-(3-methylphenyl)pyridine?
4-ethynyl-2-(3-methylphenyl)pyridine has a molecular weight of 193.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-(3-methylphenyl)pyridine is sourced from PubChem (CID 171365551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).