1-methyl-3-(trifluoromethoxy)pyridin-2-one

C7H6F3NO2 — CID 171100720

IUPAC1-methyl-3-(trifluoromethoxy)pyridin-2-one
SMILESCn1cccc(OC(F)(F)F)c1=O
InChIInChI=1S/C7H6F3NO2/c1-11-4-2-3-5(6(11)12)13-7(8,9)10/h2-4H,1H3
InChIKeyOPRNQDGKNBQKOZ-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.28
Rot. Bonds1

About 1-methyl-3-(trifluoromethoxy)pyridin-2-one

1-methyl-3-(trifluoromethoxy)pyridin-2-one (PubChem CID 171100720) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethoxy)pyridin-2-one
PubChem CID171100720
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-methyl-3-(trifluoromethoxy)pyridin-2-one
SMILESCn1cccc(OC(F)(F)F)c1=O
InChIInChI=1S/C7H6F3NO2/c1-11-4-2-3-5(6(11)12)13-7(8,9)10/h2-4H,1H3
InChIKeyOPRNQDGKNBQKOZ-UHFFFAOYSA-N
XLogP1.28
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1,2,3,3,3-Hexafluoropropyloxy)pyridin-2-ol
CID 14740074
3-(Difluoromethoxy)pyridin-2-ol
CID 66617507
5-Fluoro-3-methoxy-1-methylpyridin-2-one
CID 68092063
5-Bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 118022074
3-(Trifluoromethoxy)pyridin-2-OL
CID 130088832
3-(Difluoromethoxy)-1-methylpyridin-2-one
CID 135334628
3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 140672179
(1-Methyl-2-oxo-3-pyridinyl) 2,2,2-trifluoroacetate
CID 162492721
3-(Difluoromethoxy)-1-propan-2-ylpyridin-2-one
CID 171101017
3-(Difluoromethoxy)-1-ethylpyridin-2-one
CID 171101226
1-Propan-2-yl-3-(trifluoromethoxy)pyridin-2-one
CID 171746145
Ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171801023

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethoxy)pyridin-2-one?
The IUPAC name of 1-methyl-3-(trifluoromethoxy)pyridin-2-one (CID 171100720) is 1-methyl-3-(trifluoromethoxy)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(trifluoromethoxy)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(trifluoromethoxy)pyridin-2-one is Cn1cccc(OC(F)(F)F)c1=O.
What is the InChIKey of 1-methyl-3-(trifluoromethoxy)pyridin-2-one?
The InChIKey is OPRNQDGKNBQKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-11-4-2-3-5(6(11)12)13-7(8,9)10/h2-4H,1H3.
What are the key properties of 1-methyl-3-(trifluoromethoxy)pyridin-2-one?
1-methyl-3-(trifluoromethoxy)pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethoxy)pyridin-2-one is sourced from PubChem (CID 171100720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).