2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile

C17H15F3N2O — CID 71915316

IUPAC2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccccc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C17H15F3N2O/c1-16(2,11-21)13-7-4-3-6-12(13)10-22-9-5-8-14(15(22)23)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyDVNQTNLMKPCXCP-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.72
Rot. Bonds3

About 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile

2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile (PubChem CID 71915316) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile
PubChem CID71915316
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccccc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C17H15F3N2O/c1-16(2,11-21)13-7-4-3-6-12(13)10-22-9-5-8-14(15(22)23)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyDVNQTNLMKPCXCP-UHFFFAOYSA-N
XLogP3.72
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one
CID 134573960
1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 57080745
2-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]phenyl]-2-methylpropanenitrile
CID 154739922
2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile
CID 75392464
4-[[2-(2-cyanopropan-2-yl)phenyl]methyl]piperazine-1-sulfonamide
CID 71915398
2-methyl-2-[2-[(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]propanenitrile
CID 75457244
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 32694378
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 39040407
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 72887207
2-[2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 128982302
1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 154837682
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111542957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile (CID 71915316) is 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile is CC(C)(C#N)c1ccccc1Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile?
The InChIKey is DVNQTNLMKPCXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-16(2,11-21)13-7-4-3-6-12(13)10-22-9-5-8-14(15(22)23)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile?
2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile has a molecular weight of 320.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile is sourced from PubChem (CID 71915316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).