2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one

C9H10F3NO3 — CID 118389744

IUPAC2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
SMILESCCc1[nH]cc(C(O)C(F)(F)F)c(=O)c1O
InChIInChI=1S/C9H10F3NO3/c1-2-5-7(15)6(14)4(3-13-5)8(16)9(10,11)12/h3,8,15-16H,2H2,1H3,(H,13,14)
InChIKeyLHGWJFNPJUKGLI-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.24
Rot. Bonds2

About 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one

2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one (PubChem CID 118389744) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
PubChem CID118389744
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
SMILESCCc1[nH]cc(C(O)C(F)(F)F)c(=O)c1O
InChIInChI=1S/C9H10F3NO3/c1-2-5-7(15)6(14)4(3-13-5)8(16)9(10,11)12/h3,8,15-16H,2H2,1H3,(H,13,14)
InChIKeyLHGWJFNPJUKGLI-UHFFFAOYSA-N
XLogP1.24
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydroxy-2-methylpyridine-5-methanol
CID 593354
CID 11356058
CID 11356058
3-Hydroxy-2-methyl-5-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyridin-4-one
CID 25018649
2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
CID 59818293
3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxy-ethyl)-1H-pyridin-4-one
CID 67281494
3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
CID 67281496
3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one
CID 67281563
3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
CID 67281725
(Z,3Z)-1,1,1-trifluoro-2,5-dihydroxy-3-(methylaminomethylidene)oct-5-en-4-one
CID 144115288
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine-5-methanol
CID 118803691
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-5-methanol
CID 118809188
2-(Difluoromethyl)-4-hydroxy-5-methoxypyridine-3-methanol
CID 118809310

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one (CID 118389744) is 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one is CCc1[nH]cc(C(O)C(F)(F)F)c(=O)c1O.
What is the InChIKey of 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The InChIKey is LHGWJFNPJUKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-2-5-7(15)6(14)4(3-13-5)8(16)9(10,11)12/h3,8,15-16H,2H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one has a molecular weight of 237.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118389744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).