4-methyl-1-(trifluoromethyl)pyridin-2-one

C7H6F3NO — CID 122579451

IUPAC4-methyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1ccn(C(F)(F)F)c(=O)c1
InChIInChI=1S/C7H6F3NO/c1-5-2-3-11(6(12)4-5)7(8,9)10/h2-4H,1H3
InChIKeyPCLIKRACHQFCRI-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.63
Rot. Bonds

About 4-methyl-1-(trifluoromethyl)pyridin-2-one

4-methyl-1-(trifluoromethyl)pyridin-2-one (PubChem CID 122579451) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 4-methyl-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(trifluoromethyl)pyridin-2-one
PubChem CID122579451
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name4-methyl-1-(trifluoromethyl)pyridin-2-one
SMILESCc1ccn(C(F)(F)F)c(=O)c1
InChIInChI=1S/C7H6F3NO/c1-5-2-3-11(6(12)4-5)7(8,9)10/h2-4H,1H3
InChIKeyPCLIKRACHQFCRI-UHFFFAOYSA-N
XLogP1.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(trifluoromethyl)pyridin-2-one (CID 122579451) is 4-methyl-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(trifluoromethyl)pyridin-2-one is Cc1ccn(C(F)(F)F)c(=O)c1.
What is the InChIKey of 4-methyl-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is PCLIKRACHQFCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-5-2-3-11(6(12)4-5)7(8,9)10/h2-4H,1H3.
What are the key properties of 4-methyl-1-(trifluoromethyl)pyridin-2-one?
4-methyl-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 122579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).