(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one

C13H13F3N2O2 — CID 134203858

IUPAC(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
SMILESCC1=C[C@H](C)C(O)N(c2cc(C(F)(F)F)ccn2)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-7-5-8(2)12(20)18(11(7)19)10-6-9(3-4-17-10)13(14,15)16/h3-7,11,19H,1-2H3/t7-,11?/m0/s1
InChIKeyAAEMDMRECBYFSZ-RGENBBCFSA-N
MW286.25 g/mol
LogP2.35
Rot. Bonds1

About (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one

(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one (PubChem CID 134203858) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
PubChem CID134203858
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
SMILESCC1=C[C@H](C)C(O)N(c2cc(C(F)(F)F)ccn2)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-7-5-8(2)12(20)18(11(7)19)10-6-9(3-4-17-10)13(14,15)16/h3-7,11,19H,1-2H3/t7-,11?/m0/s1
InChIKeyAAEMDMRECBYFSZ-RGENBBCFSA-N
XLogP2.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019251
(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 135130164
4-hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019269
1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
CID 144825969
4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019274
1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
CID 76900169
(5S)-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-ol
CID 151784709
(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 99857723
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
(4R)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-4-[(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyimidazolidin-2-one
CID 155073765
2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one
CID 123829342
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637

Frequently Asked Questions

What is the IUPAC name of (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one?
The IUPAC name of (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one (CID 134203858) is (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one is CC1=C[C@H](C)C(O)N(c2cc(C(F)(F)F)ccn2)C1=O.
What is the InChIKey of (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one?
The InChIKey is AAEMDMRECBYFSZ-RGENBBCFSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-7-5-8(2)12(20)18(11(7)19)10-6-9(3-4-17-10)13(14,15)16/h3-7,11,19H,1-2H3/t7-,11?/m0/s1.
What are the key properties of (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one?
(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one has a molecular weight of 286.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 134203858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).