1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one

C13H16F3NO2 — CID 165490788

IUPAC1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one
SMILESCc1cccn(C2CC(O)CCC2C(F)(F)F)c1=O
InChIInChI=1S/C13H16F3NO2/c1-8-3-2-6-17(12(8)19)11-7-9(18)4-5-10(11)13(14,15)16/h2-3,6,9-11,18H,4-5,7H2,1H3
InChIKeyIKZYVQSQWBRFHQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.42
Rot. Bonds1

About 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one

1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one (PubChem CID 165490788) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one
PubChem CID165490788
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one
SMILESCc1cccn(C2CC(O)CCC2C(F)(F)F)c1=O
InChIInChI=1S/C13H16F3NO2/c1-8-3-2-6-17(12(8)19)11-7-9(18)4-5-10(11)13(14,15)16/h2-3,6,9-11,18H,4-5,7H2,1H3
InChIKeyIKZYVQSQWBRFHQ-UHFFFAOYSA-N
XLogP2.42
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
CID 170110073
1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
CID 166507271
3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496308
3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 146572606
1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
CID 137449098
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
CID 162308207
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
CID 137457484
[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate
CID 170110065
4-tert-butyl-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 165492080
1-(2,6-dimethylphenyl)-4-hydroxypiperidin-2-one
CID 117014001
1-[(2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one
CID 167308629
1-[(1R,3S)-3-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373382

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one (CID 165490788) is 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one is Cc1cccn(C2CC(O)CCC2C(F)(F)F)c1=O.
What is the InChIKey of 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one?
The InChIKey is IKZYVQSQWBRFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8-3-2-6-17(12(8)19)11-7-9(18)4-5-10(11)13(14,15)16/h2-3,6,9-11,18H,4-5,7H2,1H3.
What are the key properties of 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one?
1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one is sourced from PubChem (CID 165490788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).