5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine

C14H10FNO — CID 175646954

IUPAC5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
SMILESC#Cc1ccc(-c2ccc(OC)cc2F)nc1
InChIInChI=1S/C14H10FNO/c1-3-10-4-7-14(16-9-10)12-6-5-11(17-2)8-13(12)15/h1,4-9H,2H3
InChIKeyDZMMTXYYAWMVEX-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.88
Rot. Bonds2

About 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine

5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine (PubChem CID 175646954) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
PubChem CID175646954
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
SMILESC#Cc1ccc(-c2ccc(OC)cc2F)nc1
InChIInChI=1S/C14H10FNO/c1-3-10-4-7-14(16-9-10)12-6-5-11(17-2)8-13(12)15/h1,4-9H,2H3
InChIKeyDZMMTXYYAWMVEX-UHFFFAOYSA-N
XLogP2.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine?
The IUPAC name of 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine (CID 175646954) is 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine.
What is the SMILES notation for 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine?
The canonical SMILES for 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine is C#Cc1ccc(-c2ccc(OC)cc2F)nc1.
What is the InChIKey of 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine?
The InChIKey is DZMMTXYYAWMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-3-10-4-7-14(16-9-10)12-6-5-11(17-2)8-13(12)15/h1,4-9H,2H3.
What are the key properties of 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine?
5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine has a molecular weight of 227.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine is sourced from PubChem (CID 175646954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).