3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one

C9H10F3NO3 — CID 67281494

IUPAC3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one
SMILESCOC(c1c[nH]c(C)c(O)c1=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-4-6(14)7(15)5(3-13-4)8(16-2)9(10,11)12/h3,8,14H,1-2H3,(H,13,15)
InChIKeyDGSQLOXRGSZZCG-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.64
Rot. Bonds2

About 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one

3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one (PubChem CID 67281494) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one
PubChem CID67281494
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one
SMILESCOC(c1c[nH]c(C)c(O)c1=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c1-4-6(14)7(15)5(3-13-4)8(16-2)9(10,11)12/h3,8,14H,1-2H3,(H,13,15)
InChIKeyDGSQLOXRGSZZCG-UHFFFAOYSA-N
XLogP1.64
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 144115288
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CID 118826217
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CID 130100287
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CID 133093316
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CID 67472987
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CID 118404035

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one (CID 67281494) is 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one is COC(c1c[nH]c(C)c(O)c1=O)C(F)(F)F.
What is the InChIKey of 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
The InChIKey is DGSQLOXRGSZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-4-6(14)7(15)5(3-13-4)8(16-2)9(10,11)12/h3,8,14H,1-2H3,(H,13,15).
What are the key properties of 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one has a molecular weight of 237.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one is sourced from PubChem (CID 67281494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).