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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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).