1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone

C9H8F3NO — CID 2782900

IUPAC1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C9H8F3NO/c1-5-7(6(2)14)3-4-8(13-5)9(10,11)12/h3-4H,1-2H3
InChIKeySLRPZQQYFZSWBO-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.61
Rot. Bonds1

About 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone

1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 2782900) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID2782900
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C9H8F3NO/c1-5-7(6(2)14)3-4-8(13-5)9(10,11)12/h3-4H,1-2H3
InChIKeySLRPZQQYFZSWBO-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029
2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
CID 143235788
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-1-one
CID 167670286
N,2-dimethyl-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69435136
N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843308
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
2-methyl-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119187886
N'-(2-hydroxybenzoyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 31978231
2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
CID 2795935
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 2782900) is 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is SLRPZQQYFZSWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-5-7(6(2)14)3-4-8(13-5)9(10,11)12/h3-4H,1-2H3.
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 203.16 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 2782900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).