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

C9H10F3NO3 — CID 67281725

IUPAC3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCc1c(O)c(=O)c(C(O)C(F)(F)F)cn1C
InChIInChI=1S/C9H10F3NO3/c1-4-6(14)7(15)5(3-13(4)2)8(16)9(10,11)12/h3,8,14,16H,1-2H3
InChIKeyGEWCWXYBOQCSQO-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.00
Rot. Bonds1

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

3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 67281725) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID67281725
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCc1c(O)c(=O)c(C(O)C(F)(F)F)cn1C
InChIInChI=1S/C9H10F3NO3/c1-4-6(14)7(15)5(3-13(4)2)8(16)9(10,11)12/h3,8,14,16H,1-2H3
InChIKeyGEWCWXYBOQCSQO-UHFFFAOYSA-N
XLogP1.00
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 67281725) is 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is Cc1c(O)c(=O)c(C(O)C(F)(F)F)cn1C.
What is the InChIKey of 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is GEWCWXYBOQCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-4-6(14)7(15)5(3-13(4)2)8(16)9(10,11)12/h3,8,14,16H,1-2H3.
What are the key properties of 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 237.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 67281725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).