4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile

C11H11F3N2O2 — CID 118690593

IUPAC4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCC(C)C(n1ccc(O)c(C#N)c1=O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-6(2)9(11(12,13)14)16-4-3-8(17)7(5-15)10(16)18/h3-4,6,9,17H,1-2H3
InChIKeyRMZVZQCBZGKVMN-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.18
Rot. Bonds2

About 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile

4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile (PubChem CID 118690593) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile
PubChem CID118690593
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile
SMILESCC(C)C(n1ccc(O)c(C#N)c1=O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-6(2)9(11(12,13)14)16-4-3-8(17)7(5-15)10(16)18/h3-4,6,9,17H,1-2H3
InChIKeyRMZVZQCBZGKVMN-UHFFFAOYSA-N
XLogP2.18
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile (CID 118690593) is 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile is CC(C)C(n1ccc(O)c(C#N)c1=O)C(F)(F)F.
What is the InChIKey of 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile?
The InChIKey is RMZVZQCBZGKVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6(2)9(11(12,13)14)16-4-3-8(17)7(5-15)10(16)18/h3-4,6,9,17H,1-2H3.
What are the key properties of 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile?
4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile has a molecular weight of 260.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 118690593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).