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

C13H10F3NO — CID 154239731

IUPAC6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
SMILESO=c1cccc(Cc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)10-4-1-3-9(7-10)8-11-5-2-6-12(18)17-11/h1-7H,8H2,(H,17,18)
InChIKeyTUJNLKMODIDGBV-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.98
Rot. Bonds2

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

6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one (PubChem CID 154239731) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
PubChem CID154239731
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
SMILESO=c1cccc(Cc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)10-4-1-3-9(7-10)8-11-5-2-6-12(18)17-11/h1-7H,8H2,(H,17,18)
InChIKeyTUJNLKMODIDGBV-UHFFFAOYSA-N
XLogP2.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
CID 70280706
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one
CID 157261147
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol
CID 115092939
6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 28603282
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
N-(1H-pyrrol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55021234
2-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 178069330
2-amino-5-[[3-(trifluoromethyl)phenyl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732159
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohept-2-en-1-one
CID 107382752

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one (CID 154239731) is 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one is O=c1cccc(Cc2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one?
The InChIKey is TUJNLKMODIDGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)10-4-1-3-9(7-10)8-11-5-2-6-12(18)17-11/h1-7H,8H2,(H,17,18).
What are the key properties of 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one?
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 154239731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).