5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile

C11H10F3N3O — CID 169124402

IUPAC5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(C(F)(F)F)c(C#N)c(C)c1C(C)=O
InChIInChI=1S/C11H10F3N3O/c1-5-7(4-15)9(11(12,13)14)17-10(16-3)8(5)6(2)18/h1-3H3,(H,16,17)
InChIKeyRKOLYISMEBQCKP-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.52
Rot. Bonds2

About 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile

5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 169124402) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID169124402
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(C(F)(F)F)c(C#N)c(C)c1C(C)=O
InChIInChI=1S/C11H10F3N3O/c1-5-7(4-15)9(11(12,13)14)17-10(16-3)8(5)6(2)18/h1-3H3,(H,16,17)
InChIKeyRKOLYISMEBQCKP-UHFFFAOYSA-N
XLogP2.52
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-cyano-4-(cyclopropylmethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 22668876
2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile
CID 147347191
1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 53403013
2-acetyl-3-nitro-6-(trifluoromethyl)benzonitrile
CID 170996042
2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile
CID 852569
2-acetyl-6-methoxy-3-(trifluoromethyl)benzonitrile
CID 171031244
3-acetyl-2-fluoro-4-(trifluoromethyl)benzonitrile
CID 131614862
strontium;carbanide;5-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169123983
2-[5-ethynyl-3,4-dimethyl-6-(trifluoromethyl)-2-pyridinyl]-3-methylbut-2-enenitrile
CID 166075846
1-[5-chloro-3-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 84679894
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
CID 2726058
5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 72696488

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile (CID 169124402) is 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile is CNc1nc(C(F)(F)F)c(C#N)c(C)c1C(C)=O.
What is the InChIKey of 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RKOLYISMEBQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-5-7(4-15)9(11(12,13)14)17-10(16-3)8(5)6(2)18/h1-3H3,(H,16,17).
What are the key properties of 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile?
5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 257.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methyl-6-(methylamino)-2-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 169124402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).