1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one

C9H10F3NO — CID 163461061

IUPAC1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)n(C)c(=O)c1C
InChIInChI=1S/C9H10F3NO/c1-5-4-7(9(10,11)12)13(3)8(14)6(5)2/h4H,1-3H3
InChIKeyBOPKTYPUVMTHQO-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.02
Rot. Bonds

About 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one

1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 163461061) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID163461061
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)n(C)c(=O)c1C
InChIInChI=1S/C9H10F3NO/c1-5-4-7(9(10,11)12)13(3)8(14)6(5)2/h4H,1-3H3
InChIKeyBOPKTYPUVMTHQO-UHFFFAOYSA-N
XLogP2.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one (CID 163461061) is 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)n(C)c(=O)c1C.
What is the InChIKey of 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is BOPKTYPUVMTHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-4-7(9(10,11)12)13(3)8(14)6(5)2/h4H,1-3H3.
What are the key properties of 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one?
1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 205.18 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 163461061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).