2-(4-ethynylphenyl)-5-methylpyridine

C14H11N — CID 139035898

IUPAC2-(4-ethynylphenyl)-5-methylpyridine
SMILESC#Cc1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C14H11N/c1-3-12-5-7-13(8-6-12)14-9-4-11(2)10-15-14/h1,4-10H,2H3
InChIKeyKBGYHSRITJBHOM-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.04
Rot. Bonds1

About 2-(4-ethynylphenyl)-5-methylpyridine

2-(4-ethynylphenyl)-5-methylpyridine (PubChem CID 139035898) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-ethynylphenyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(4-ethynylphenyl)-5-methylpyridine
PubChem CID139035898
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name2-(4-ethynylphenyl)-5-methylpyridine
SMILESC#Cc1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C14H11N/c1-3-12-5-7-13(8-6-12)14-9-4-11(2)10-15-14/h1,4-10H,2H3
InChIKeyKBGYHSRITJBHOM-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 2-(4-ethynylphenyl)-5-methylpyridine?
The IUPAC name of 2-(4-ethynylphenyl)-5-methylpyridine (CID 139035898) is 2-(4-ethynylphenyl)-5-methylpyridine.
What is the SMILES notation for 2-(4-ethynylphenyl)-5-methylpyridine?
The canonical SMILES for 2-(4-ethynylphenyl)-5-methylpyridine is C#Cc1ccc(-c2ccc(C)cn2)cc1.
What is the InChIKey of 2-(4-ethynylphenyl)-5-methylpyridine?
The InChIKey is KBGYHSRITJBHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-3-12-5-7-13(8-6-12)14-9-4-11(2)10-15-14/h1,4-10H,2H3.
What are the key properties of 2-(4-ethynylphenyl)-5-methylpyridine?
2-(4-ethynylphenyl)-5-methylpyridine 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 2-(4-ethynylphenyl)-5-methylpyridine is sourced from PubChem (CID 139035898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).