4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one

C7H6F3NO2 — CID 130092712

IUPAC4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-4-2-6(12)11-3-5(4)13-7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyGODHIMDXSMIOBL-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.58
Rot. Bonds1

About 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one

4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130092712) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130092712
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO2/c1-4-2-6(12)11-3-5(4)13-7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyGODHIMDXSMIOBL-UHFFFAOYSA-N
XLogP1.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111899
3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111102
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131214048
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131318676
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 134666235
1-[2-bromo-5-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171000680
6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111993
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 130092712) is 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1OC(F)(F)F.
What is the InChIKey of 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is GODHIMDXSMIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-4-2-6(12)11-3-5(4)13-7(8,9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130092712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).