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

C9H10F3NO2 — CID 144581607

IUPAC3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cn(CO)c1=O
InChIInChI=1S/C9H10F3NO2/c1-2-6-3-7(9(10,11)12)4-13(5-14)8(6)15/h3-4,14H,2,5H2,1H3
InChIKeyULBHHMHKYZENCR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.38
Rot. Bonds2

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

3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 144581607) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID144581607
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cn(CO)c1=O
InChIInChI=1S/C9H10F3NO2/c1-2-6-3-7(9(10,11)12)4-13(5-14)8(6)15/h3-4,14H,2,5H2,1H3
InChIKeyULBHHMHKYZENCR-UHFFFAOYSA-N
XLogP1.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethyl)-5-ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885905
1-Methyl-3,5-bis(trifluoromethyl)pyridine-2(1H)-one
CID 71737237
1,3-Dimethyl-5-(trifluoromethyl)pyridin-2-one
CID 90078394
1-Ethyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078409
1-Methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301544
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
1-(Hydroxymethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301549
3-(1,1-Difluoroethyl)-1-methylpyridin-2-one
CID 118857990
5-Fluoro-1-methyl-3-propan-2-ylpyridin-2-one
CID 129075338
4-(Difluoromethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 137377141
3-Ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 144581535
3-Ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 144581550

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one (CID 144581607) is 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one is CCc1cc(C(F)(F)F)cn(CO)c1=O.
What is the InChIKey of 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ULBHHMHKYZENCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-2-6-3-7(9(10,11)12)4-13(5-14)8(6)15/h3-4,14H,2,5H2,1H3.
What are the key properties of 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one?
3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(hydroxymethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 144581607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).