2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile

C15H11F3N4O2 — CID 135627049

IUPAC2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2/c1-8-11(7-19)13(23)22(2)14(24)12(8)21-20-10-5-3-9(4-6-10)15(16,17)18/h3-6,23H,1-2H3/b21-20+
InChIKeySWVXOKLCSOFEHI-QZQOTICOSA-N
MW336.27 g/mol
LogP3.71
Rot. Bonds2

About 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile

2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile (PubChem CID 135627049) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
PubChem CID135627049
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3N4O2/c1-8-11(7-19)13(23)22(2)14(24)12(8)21-20-10-5-3-9(4-6-10)15(16,17)18/h3-6,23H,1-2H3/b21-20+
InChIKeySWVXOKLCSOFEHI-QZQOTICOSA-N
XLogP3.71
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile (CID 135627049) is 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
The InChIKey is SWVXOKLCSOFEHI-QZQOTICOSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-8-11(7-19)13(23)22(2)14(24)12(8)21-20-10-5-3-9(4-6-10)15(16,17)18/h3-6,23H,1-2H3/b21-20+.
What are the key properties of 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile has a molecular weight of 336.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135627049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).