1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one

C21H16FNO2 — CID 142689509

IUPAC1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one
SMILESCOc1ccccc1C#Cc1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C21H16FNO2/c1-25-20-8-3-2-6-18(20)11-9-16-10-12-21(24)23(14-16)15-17-5-4-7-19(22)13-17/h2-8,10,12-14H,15H2,1H3
InChIKeyDFUNVGSIDGVCJI-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.44
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one

1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one (PubChem CID 142689509) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one
PubChem CID142689509
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one
SMILESCOc1ccccc1C#Cc1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C21H16FNO2/c1-25-20-8-3-2-6-18(20)11-9-16-10-12-21(24)23(14-16)15-17-5-4-7-19(22)13-17/h2-8,10,12-14H,15H2,1H3
InChIKeyDFUNVGSIDGVCJI-UHFFFAOYSA-N
XLogP3.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.44
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 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one (CID 142689509) is 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one is COc1ccccc1C#Cc1ccc(=O)n(Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one?
The InChIKey is DFUNVGSIDGVCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-25-20-8-3-2-6-18(20)11-9-16-10-12-21(24)23(14-16)15-17-5-4-7-19(22)13-17/h2-8,10,12-14H,15H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one?
1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one has a molecular weight of 333.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethynyl]pyridin-2-one is sourced from PubChem (CID 142689509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).