2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C13H7F3N4O2 — CID 139839215

IUPAC2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(O)[nH]c(=O)c(/N=N/c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)9-8(6-17)11(21)18-12(22)10(9)20-19-7-4-2-1-3-5-7/h1-5H,(H2,18,21,22)/b20-19+
InChIKeyOMGRUNPHZDBDHR-FMQUCBEESA-N
MW308.22 g/mol
LogP3.39
Rot. Bonds2

About 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 139839215) has the molecular formula C13H7F3N4O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID139839215
Molecular FormulaC13H7F3N4O2
Molecular Weight308.22 g/mol
Exact Mass308.05
IUPAC Name2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(O)[nH]c(=O)c(/N=N/c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C13H7F3N4O2/c14-13(15,16)9-8(6-17)11(21)18-12(22)10(9)20-19-7-4-2-1-3-5-7/h1-5H,(H2,18,21,22)/b20-19+
InChIKeyOMGRUNPHZDBDHR-FMQUCBEESA-N
XLogP3.39
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 139839215) is 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(O)[nH]c(=O)c(/N=N/c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is OMGRUNPHZDBDHR-FMQUCBEESA-N. The full InChI is InChI=1S/C13H7F3N4O2/c14-13(15,16)9-8(6-17)11(21)18-12(22)10(9)20-19-7-4-2-1-3-5-7/h1-5H,(H2,18,21,22)/b20-19+.
What are the key properties of 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 308.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 139839215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).