6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C11H11F3N2O — CID 1480186

IUPAC6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCC(C)(C)c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C11H11F3N2O/c1-10(2,3)8-4-7(11(12,13)14)6(5-15)9(17)16-8/h4H,1-3H3,(H,16,17)
InChIKeyQVFWPGJSZRZLAM-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.56
Rot. Bonds

About 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 1480186) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID1480186
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCC(C)(C)c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C11H11F3N2O/c1-10(2,3)8-4-7(11(12,13)14)6(5-15)9(17)16-8/h4H,1-3H3,(H,16,17)
InChIKeyQVFWPGJSZRZLAM-UHFFFAOYSA-N
XLogP2.56
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 1480186) is 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is QVFWPGJSZRZLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-10(2,3)8-4-7(11(12,13)14)6(5-15)9(17)16-8/h4H,1-3H3,(H,16,17).
What are the key properties of 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1480186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).