3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one

C10H12F3NO2 — CID 11572207

IUPAC3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(C)C)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO2/c1-5(2)8-9(16-3)6(15)4-7(14-8)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyDOSPARFQNAKXON-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.53
Rot. Bonds2

About 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one

3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 11572207) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID11572207
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(C)C)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H12F3NO2/c1-5(2)8-9(16-3)6(15)4-7(14-8)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyDOSPARFQNAKXON-UHFFFAOYSA-N
XLogP2.53
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one (CID 11572207) is 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one is COc1c(C(C)C)[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is DOSPARFQNAKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-5(2)8-9(16-3)6(15)4-7(14-8)10(11,12)13/h4-5H,1-3H3,(H,14,15).
What are the key properties of 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one?
3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 235.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-yl-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 11572207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).