3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one

C12H9F2NO2 — CID 91482567

IUPAC3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCc1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO2/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-15-12(11)16/h1-6H,7H2,(H,15,16)
InChIKeyKWQQFVWXMBASSK-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.23
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one

3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one (PubChem CID 91482567) has the molecular formula C12H9F2NO2 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
PubChem CID91482567
Molecular FormulaC12H9F2NO2
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCc1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO2/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-15-12(11)16/h1-6H,7H2,(H,15,16)
InChIKeyKWQQFVWXMBASSK-UHFFFAOYSA-N
XLogP2.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methoxy]-1H-pyridin-2-one
CID 82056014
3-[(2-methylphenyl)methoxy]-1H-pyridin-2-one
CID 82056015
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 62198279
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione
CID 121199579
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
5-chloro-4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 141127812
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one (CID 91482567) is 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one is O=c1[nH]cccc1OCc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The InChIKey is KWQQFVWXMBASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-15-12(11)16/h1-6H,7H2,(H,15,16).
What are the key properties of 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one has a molecular weight of 237.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 91482567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).