3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one

C8H8F3NO3 — CID 67281563

IUPAC3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one
SMILESCc1[nH]cc([C@H](O)C(F)(F)F)c(=O)c1O
InChIInChI=1S/C8H8F3NO3/c1-3-5(13)6(14)4(2-12-3)7(15)8(9,10)11/h2,7,13,15H,1H3,(H,12,14)/t7-/m0/s1
InChIKeyWDKJJBMNVBQLRU-ZETCQYMHSA-N
MW223.15 g/mol
LogP0.98
Rot. Bonds1

About 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one

3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one (PubChem CID 67281563) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one
PubChem CID67281563
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Name3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one
SMILESCc1[nH]cc([C@H](O)C(F)(F)F)c(=O)c1O
InChIInChI=1S/C8H8F3NO3/c1-3-5(13)6(14)4(2-12-3)7(15)8(9,10)11/h2,7,13,15H,1H3,(H,12,14)/t7-/m0/s1
InChIKeyWDKJJBMNVBQLRU-ZETCQYMHSA-N
XLogP0.98
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one (CID 67281563) is 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one is Cc1[nH]cc([C@H](O)C(F)(F)F)c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one?
The InChIKey is WDKJJBMNVBQLRU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8F3NO3/c1-3-5(13)6(14)4(2-12-3)7(15)8(9,10)11/h2,7,13,15H,1H3,(H,12,14)/t7-/m0/s1.
What are the key properties of 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one?
3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one has a molecular weight of 223.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one is sourced from PubChem (CID 67281563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).