1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone

C10H12F3NO — CID 171107529

IUPAC1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=C(C)N(C)C(C(F)(F)F)C=C1
InChIInChI=1S/C10H12F3NO/c1-6-8(7(2)15)4-5-9(14(6)3)10(11,12)13/h4-5,9H,1-3H3
InChIKeyWCEFHRWHVAQVSD-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.28
Rot. Bonds1

About 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone

1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone (PubChem CID 171107529) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone
PubChem CID171107529
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=C(C)N(C)C(C(F)(F)F)C=C1
InChIInChI=1S/C10H12F3NO/c1-6-8(7(2)15)4-5-9(14(6)3)10(11,12)13/h4-5,9H,1-3H3
InChIKeyWCEFHRWHVAQVSD-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-ethyl-1-propyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 71560949
1-(1,6-dipropyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 102429593
3-Methyl-4-(trifluoromethyl)quinolizin-2-one
CID 59283993
3,6-Dimethyl-4-(trifluoromethyl)quinolizin-2-one
CID 59284264
1,2,3-Trimethyl-6-(2,2,2-trifluoroethyl)pyridin-4-one
CID 68223766
2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 70935168
1-(2,2-Difluoroethyl)-2,5-dimethylpyridin-4-one
CID 89114534
1-[6-(difluoromethyl)-2,3-dimethyl-3H-isoquinolin-1-yl]prop-2-en-1-one
CID 91497542
1-[2-ethyl-1-methyl-4-(trifluoromethyl)-2H-pyridin-6-yl]propan-1-one
CID 123698460
(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one
CID 167269740
2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one
CID 159449276
1-[2,6-Difluoro-4-methyl-3-(1-methyl-2-pyridinylidene)cyclohexa-1,5-dien-1-yl]-2,2,2-trifluoroethanone
CID 162587532

Frequently Asked Questions

What is the IUPAC name of 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone?
The IUPAC name of 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone (CID 171107529) is 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone is CC(=O)C1=C(C)N(C)C(C(F)(F)F)C=C1.
What is the InChIKey of 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone?
The InChIKey is WCEFHRWHVAQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6-8(7(2)15)4-5-9(14(6)3)10(11,12)13/h4-5,9H,1-3H3.
What are the key properties of 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone?
1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone has a molecular weight of 219.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone is sourced from PubChem (CID 171107529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).