2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

C13H10F3NO2 — CID 133091499

IUPAC2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H10F3NO2/c1-8-12(10(18)6-7-17-8)9-4-2-3-5-11(9)19-13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyMXWSGVASDTTZDC-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.25
Rot. Bonds2

About 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (PubChem CID 133091499) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
PubChem CID133091499
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H10F3NO2/c1-8-12(10(18)6-7-17-8)9-4-2-3-5-11(9)19-13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyMXWSGVASDTTZDC-UHFFFAOYSA-N
XLogP3.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091724
6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091442
2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one
CID 69347693
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091598
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (CID 133091499) is 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The InChIKey is MXWSGVASDTTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-8-12(10(18)6-7-17-8)9-4-2-3-5-11(9)19-13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one has a molecular weight of 269.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 133091499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).