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

C9H10F3NO — CID 144581535

IUPAC3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C9H10F3NO/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14/h4-5H,3H2,1-2H3
InChIKeyHGXNSJYVRFCZKC-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.97
Rot. Bonds1

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

3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 144581535) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID144581535
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C9H10F3NO/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14/h4-5H,3H2,1-2H3
InChIKeyHGXNSJYVRFCZKC-UHFFFAOYSA-N
XLogP1.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 144581535) is 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is CCc1cc(C(F)(F)F)cn(C)c1=O.
What is the InChIKey of 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is HGXNSJYVRFCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 205.18 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 144581535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).