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

C17H15F3N4O2 — CID 135650225

IUPAC2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)c(/N=N/c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H15F3N4O2/c1-3-7-24-15(25)13(9-21)10(2)14(16(24)26)23-22-12-6-4-5-11(8-12)17(18,19)20/h4-6,8,25H,3,7H2,1-2H3/b23-22+
InChIKeyTURBIFBAQDNGBI-GHVJWSGMSA-N
MW364.33 g/mol
LogP4.58
Rot. Bonds4

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

2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile (PubChem CID 135650225) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
PubChem CID135650225
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)c(/N=N/c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H15F3N4O2/c1-3-7-24-15(25)13(9-21)10(2)14(16(24)26)23-22-12-6-4-5-11(8-12)17(18,19)20/h4-6,8,25H,3,7H2,1-2H3/b23-22+
InChIKeyTURBIFBAQDNGBI-GHVJWSGMSA-N
XLogP4.58
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.58
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-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile (CID 135650225) is 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile is CCCn1c(O)c(C#N)c(C)c(/N=N/c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
The InChIKey is TURBIFBAQDNGBI-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-3-7-24-15(25)13(9-21)10(2)14(16(24)26)23-22-12-6-4-5-11(8-12)17(18,19)20/h4-6,8,25H,3,7H2,1-2H3/b23-22+.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile?
2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile has a molecular weight of 364.33 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1-propyl-5-[[3-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135650225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).