1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one

C20H14FNO — CID 22050187

IUPAC1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one
SMILESO=c1cc(C#Cc2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C20H14FNO/c21-19-8-4-7-18(13-19)15-22-12-11-17(14-20(22)23)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2
InChIKeyBYEZZZRAQSVDML-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.44
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one

1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one (PubChem CID 22050187) has the molecular formula C20H14FNO and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one
PubChem CID22050187
Molecular FormulaC20H14FNO
Molecular Weight303.34 g/mol
Exact Mass303.11
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one
SMILESO=c1cc(C#Cc2ccccc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C20H14FNO/c21-19-8-4-7-18(13-19)15-22-12-11-17(14-20(22)23)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2
InChIKeyBYEZZZRAQSVDML-UHFFFAOYSA-N
XLogP3.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.44
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 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one (CID 22050187) is 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one is O=c1cc(C#Cc2ccccc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one?
The InChIKey is BYEZZZRAQSVDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO/c21-19-8-4-7-18(13-19)15-22-12-11-17(14-20(22)23)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one?
1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one has a molecular weight of 303.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(2-phenylethynyl)pyridin-2-one is sourced from PubChem (CID 22050187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).