3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine

C14H10FNO — CID 67047635

IUPAC3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine
SMILESCOc1cncc(C#Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H10FNO/c1-17-14-8-12(9-16-10-14)3-2-11-4-6-13(15)7-5-11/h4-10H,1H3
InChIKeyRIUJYEPZIKPMMS-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.63
Rot. Bonds1

About 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine

3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine (PubChem CID 67047635) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine
PubChem CID67047635
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine
SMILESCOc1cncc(C#Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H10FNO/c1-17-14-8-12(9-16-10-14)3-2-11-4-6-13(15)7-5-11/h4-10H,1H3
InChIKeyRIUJYEPZIKPMMS-UHFFFAOYSA-N
XLogP2.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine (CID 67047635) is 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine is COc1cncc(C#Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine?
The InChIKey is RIUJYEPZIKPMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-17-14-8-12(9-16-10-14)3-2-11-4-6-13(15)7-5-11/h4-10H,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine?
3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine has a molecular weight of 227.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethynyl]-5-methoxypyridine is sourced from PubChem (CID 67047635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).