1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one

C14H12F3NO — CID 90078397

IUPAC1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12F3NO/c1-10-7-12(14(15,16)17)9-18(13(10)19)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyGDAZXLIVQIZMMD-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.22
Rot. Bonds2

About 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one

1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 90078397) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID90078397
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C14H12F3NO/c1-10-7-12(14(15,16)17)9-18(13(10)19)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyGDAZXLIVQIZMMD-UHFFFAOYSA-N
XLogP3.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one (CID 90078397) is 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is GDAZXLIVQIZMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-10-7-12(14(15,16)17)9-18(13(10)19)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one?
1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 267.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 90078397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).