3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one

C7H6F3NO2 — CID 91450191

IUPAC3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)(F)F)c(O)c1=O
InChIInChI=1S/C7H6F3NO2/c1-3-2-11-6(7(8,9)10)5(13)4(3)12/h2,13H,1H3,(H,11,12)
InChIKeyPDAPXGCBAUYFPO-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.41
Rot. Bonds

About 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one

3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 91450191) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID91450191
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1c[nH]c(C(F)(F)F)c(O)c1=O
InChIInChI=1S/C7H6F3NO2/c1-3-2-11-6(7(8,9)10)5(13)4(3)12/h2,13H,1H3,(H,11,12)
InChIKeyPDAPXGCBAUYFPO-UHFFFAOYSA-N
XLogP1.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one (CID 91450191) is 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one is Cc1c[nH]c(C(F)(F)F)c(O)c1=O.
What is the InChIKey of 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is PDAPXGCBAUYFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-3-2-11-6(7(8,9)10)5(13)4(3)12/h2,13H,1H3,(H,11,12).
What are the key properties of 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 193.12 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 91450191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).