4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C14H11BrF3NO — CID 138471749

IUPAC4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cn(Cc2ccccc2C(F)(F)F)c(=O)cc1Br
InChIInChI=1S/C14H11BrF3NO/c1-9-7-19(13(20)6-12(9)15)8-10-4-2-3-5-11(10)14(16,17)18/h2-7H,8H2,1H3
InChIKeyBZFVPWKSRAGBGQ-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.99
Rot. Bonds2

About 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one

4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 138471749) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID138471749
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESCc1cn(Cc2ccccc2C(F)(F)F)c(=O)cc1Br
InChIInChI=1S/C14H11BrF3NO/c1-9-7-19(13(20)6-12(9)15)8-10-4-2-3-5-11(10)14(16,17)18/h2-7H,8H2,1H3
InChIKeyBZFVPWKSRAGBGQ-UHFFFAOYSA-N
XLogP3.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 138471749) is 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one is Cc1cn(Cc2ccccc2C(F)(F)F)c(=O)cc1Br.
What is the InChIKey of 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is BZFVPWKSRAGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c1-9-7-19(13(20)6-12(9)15)8-10-4-2-3-5-11(10)14(16,17)18/h2-7H,8H2,1H3.
What are the key properties of 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 346.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 138471749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).