4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one

C13H12FNO2 — CID 70697683

IUPAC4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one
SMILESCn1ccc(OCc2ccc(F)cc2)cc1=O
InChIInChI=1S/C13H12FNO2/c1-15-7-6-12(8-13(15)16)17-9-10-2-4-11(14)5-3-10/h2-8H,9H2,1H3
InChIKeyRJDNAPWQGGPHRH-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.10
Rot. Bonds3

About 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one (PubChem CID 70697683) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one
PubChem CID70697683
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one
SMILESCn1ccc(OCc2ccc(F)cc2)cc1=O
InChIInChI=1S/C13H12FNO2/c1-15-7-6-12(8-13(15)16)17-9-10-2-4-11(14)5-3-10/h2-8H,9H2,1H3
InChIKeyRJDNAPWQGGPHRH-UHFFFAOYSA-N
XLogP2.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one (CID 70697683) is 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one is Cn1ccc(OCc2ccc(F)cc2)cc1=O.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one?
The InChIKey is RJDNAPWQGGPHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-15-7-6-12(8-13(15)16)17-9-10-2-4-11(14)5-3-10/h2-8H,9H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one has a molecular weight of 233.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-methylpyridin-2-one is sourced from PubChem (CID 70697683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).