3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one

C8H6F5NO3 — CID 134658855

IUPAC3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1cc(OC(F)(F)F)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H6F5NO3/c1-16-3-2-4(17-8(11,12)13)14-7(15)5(3)6(9)10/h2,6H,1H3,(H,14,15)
InChIKeyGYHITXHCWBDZRS-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.22
Rot. Bonds3

About 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one

3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 134658855) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID134658855
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1cc(OC(F)(F)F)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H6F5NO3/c1-16-3-2-4(17-8(11,12)13)14-7(15)5(3)6(9)10/h2,6H,1H3,(H,14,15)
InChIKeyGYHITXHCWBDZRS-UHFFFAOYSA-N
XLogP2.22
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083414
4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 118799845
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
3-(difluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666248
3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111059
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
4-methyl-2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134679128

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 134658855) is 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one is COc1cc(OC(F)(F)F)[nH]c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is GYHITXHCWBDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c1-16-3-2-4(17-8(11,12)13)14-7(15)5(3)6(9)10/h2,6H,1H3,(H,14,15).
What are the key properties of 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one?
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 259.13 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 134658855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).