1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one

C10H12F3NO — CID 67473511

IUPAC1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3NO/c1-7(2)5-14-6-8(10(11,12)13)3-4-9(14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyRXEHGJDNOINJEY-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.52
Rot. Bonds2

About 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 67473511) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID67473511
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3NO/c1-7(2)5-14-6-8(10(11,12)13)3-4-9(14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyRXEHGJDNOINJEY-UHFFFAOYSA-N
XLogP2.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
2(1H)-Pyridinone, 1-methyl-5-(trifluoromethyl)-
CID 4534802
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-(Cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84584960
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
2-[3-Fluoro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836975
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one (CID 67473511) is 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one is CC(C)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is RXEHGJDNOINJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7(2)5-14-6-8(10(11,12)13)3-4-9(14)15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 67473511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).