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

C8H6F5NO3 — CID 134658857

IUPAC3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1[nH]cc(OC(F)(F)F)c(=O)c1C(F)F
InChIInChI=1S/C8H6F5NO3/c1-16-7-4(6(9)10)5(15)3(2-14-7)17-8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyDRVKFPMYKDSVSY-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.22
Rot. Bonds3

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

3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 134658857) has the molecular formula C8H6F5NO3 and a molecular weight of 259.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID134658857
Molecular FormulaC8H6F5NO3
Molecular Weight259.13 g/mol
Exact Mass259.03
IUPAC Name3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1[nH]cc(OC(F)(F)F)c(=O)c1C(F)F
InChIInChI=1S/C8H6F5NO3/c1-16-7-4(6(9)10)5(15)3(2-14-7)17-8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyDRVKFPMYKDSVSY-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

3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130083354
methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134666527
3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111102
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
CID 134666645
methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
CID 133103145
2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112028
methyl 3-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylate
CID 134662273

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 134658857) is 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one is COc1[nH]cc(OC(F)(F)F)c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is DRVKFPMYKDSVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO3/c1-16-7-4(6(9)10)5(15)3(2-14-7)17-8(11,12)13/h2,6H,1H3,(H,14,15).
What are the key properties of 3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-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)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 134658857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).