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

C8H7F4NO3 — CID 118848909

IUPAC2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c[nH]c(CF)c(OC(F)(F)F)c1=O
InChIInChI=1S/C8H7F4NO3/c1-15-5-3-13-4(2-9)7(6(5)14)16-8(10,11)12/h3H,2H2,1H3,(H,13,14)
InChIKeyLTCVWWFQHPBPEC-UHFFFAOYSA-N
MW241.14 g/mol
LogP1.75
Rot. Bonds3

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

2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118848909) has the molecular formula C8H7F4NO3 and a molecular weight of 241.14 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118848909
Molecular FormulaC8H7F4NO3
Molecular Weight241.14 g/mol
Exact Mass241.04
IUPAC Name2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c[nH]c(CF)c(OC(F)(F)F)c1=O
InChIInChI=1S/C8H7F4NO3/c1-15-5-3-13-4(2-9)7(6(5)14)16-8(10,11)12/h3H,2H2,1H3,(H,13,14)
InChIKeyLTCVWWFQHPBPEC-UHFFFAOYSA-N
XLogP1.75
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-3-methoxy-2-(trifluoromethyl)pyridine
CID 69022654
3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 90985226
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
CID 143248071
4-Hydroxy-5-methoxy-2-(trifluoromethyl)pyridine
CID 102030325
2-(Difluoromethyl)-4,5-dihydroxy-3-methoxypyridine
CID 118803657
2-(Difluoromethyl)-4-hydroxy-5-methoxy-3-methylpyridine
CID 118803692
2-(Difluoromethyl)-3,4-dihydroxy-5-methoxypyridine
CID 118814932
2-(Difluoromethyl)-4-hydroxy-3-iodo-5-(trifluoromethoxy)pyridine
CID 118814945
2-(Difluoromethyl)-4-hydroxy-3-methyl-5-(trifluoromethoxy)pyridine
CID 118820372
5-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118821782
5-methoxy-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
CID 118821901
2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118827121

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118848909) is 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one is COc1c[nH]c(CF)c(OC(F)(F)F)c1=O.
What is the InChIKey of 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is LTCVWWFQHPBPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO3/c1-15-5-3-13-4(2-9)7(6(5)14)16-8(10,11)12/h3H,2H2,1H3,(H,13,14).
What are the key properties of 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 241.14 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-methoxy-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118848909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).