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

C12H9F2NO2 — CID 71087005

IUPAC4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)c(F)c2)cc[nH]1
InChIInChI=1S/C12H9F2NO2/c13-10-2-1-8(5-11(10)14)7-17-9-3-4-15-12(16)6-9/h1-6H,7H2,(H,15,16)
InChIKeyKOZHNLFTIZGWQX-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.23
Rot. Bonds3

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

4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one (PubChem CID 71087005) has the molecular formula C12H9F2NO2 and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one
PubChem CID71087005
Molecular FormulaC12H9F2NO2
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)c(F)c2)cc[nH]1
InChIInChI=1S/C12H9F2NO2/c13-10-2-1-8(5-11(10)14)7-17-9-3-4-15-12(16)6-9/h1-6H,7H2,(H,15,16)
InChIKeyKOZHNLFTIZGWQX-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

6-[(3,4-difluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 69038466
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
4-butoxy-1H-pyridin-2-one
CID 58896757
5-[(4-chloro-3-fluorophenyl)methoxy]-1H-indole
CID 107888362
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 82918272
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
CID 103695236
4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one
CID 166715606
4-[(3-methyl-2-pyridinyl)methoxy]-1H-pyridin-2-one
CID 152538105

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one (CID 71087005) is 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one is O=c1cc(OCc2ccc(F)c(F)c2)cc[nH]1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
The InChIKey is KOZHNLFTIZGWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c13-10-2-1-8(5-11(10)14)7-17-9-3-4-15-12(16)6-9/h1-6H,7H2,(H,15,16).
What are the key properties of 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one?
4-[(3,4-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 4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 71087005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).