6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

C7H6F3NO — CID 20767670

IUPAC6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F3NO/c1-4-2-3-5(6(12)11-4)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyKPFVRGJJYZUOHH-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.70
Rot. Bonds

About 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 20767670) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID20767670
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H6F3NO/c1-4-2-3-5(6(12)11-4)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyKPFVRGJJYZUOHH-UHFFFAOYSA-N
XLogP1.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091914
6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 105444637
6-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173379056
6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane
CID 177016565
6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134658717
7-fluoro-3-methyl-6-(trifluoromethyl)-2H-isoquinolin-1-one
CID 140679028
3-(aminomethylsulfonyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 90102378
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026
4-[5-bromo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585446
3-methoxy-6-methyl-1H-pyridin-2-one
CID 21221223
6-methyl-3-methylsulfanyl-1H-pyridin-2-one
CID 166973798
6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091598

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 20767670) is 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is Cc1ccc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KPFVRGJJYZUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-4-2-3-5(6(12)11-4)7(8,9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 20767670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).