2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C11H11F3N2O2 — CID 59482259

IUPAC2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)Cn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C11H11F3N2O2/c1-6(2)5-16-9(17)3-8(11(12,13)14)7(4-15)10(16)18/h3,6,18H,5H2,1-2H3
InChIKeyXNIKPIAQWYUAMR-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.10
Rot. Bonds2

About 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 59482259) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID59482259
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)Cn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C11H11F3N2O2/c1-6(2)5-16-9(17)3-8(11(12,13)14)7(4-15)10(16)18/h3,6,18H,5H2,1-2H3
InChIKeyXNIKPIAQWYUAMR-UHFFFAOYSA-N
XLogP2.10
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 59482259) is 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)Cn1c(O)c(C#N)c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is XNIKPIAQWYUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6(2)5-16-9(17)3-8(11(12,13)14)7(4-15)10(16)18/h3,6,18H,5H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 260.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methylpropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 59482259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).