5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one

C7H6F3NO2 — CID 130079268

IUPAC5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(F)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-4(8)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12)
InChIKeyMFDYCIZUVDIWAO-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.46
Rot. Bonds2

About 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one

5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one (PubChem CID 130079268) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one
PubChem CID130079268
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(F)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-4(8)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12)
InChIKeyMFDYCIZUVDIWAO-UHFFFAOYSA-N
XLogP1.46
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
CID 118025202
2-Hydroxy-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704354
6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130092983
4-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 153933574
3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 154508416
5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 177032160
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridin-2-ol
CID 118801175
4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 118806028
4-Bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118806030
4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806046
4-(Difluoromethyl)-5-methylpyridine-2,3-diol
CID 118806228

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one (CID 130079268) is 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one is COc1c(F)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one?
The InChIKey is MFDYCIZUVDIWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-13-5-4(8)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12).
What are the key properties of 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one?
5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130079268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).