2-phenyldiazenyl-4H-pyridin-3-one

C11H9N3O — CID 173291020

IUPAC2-phenyldiazenyl-4H-pyridin-3-one
SMILESO=C1CC=CN=C1/N=N/c1ccccc1
InChIInChI=1S/C11H9N3O/c15-10-7-4-8-12-11(10)14-13-9-5-2-1-3-6-9/h1-6,8H,7H2/b14-13+
InChIKeyZDTGILRFBRHEPZ-BUHFOSPRSA-N
MW199.21 g/mol
LogP2.66
Rot. Bonds1

About 2-phenyldiazenyl-4H-pyridin-3-one

2-phenyldiazenyl-4H-pyridin-3-one (PubChem CID 173291020) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-phenyldiazenyl-4H-pyridin-3-one.

Molecular Properties

Compound Name2-phenyldiazenyl-4H-pyridin-3-one
PubChem CID173291020
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-phenyldiazenyl-4H-pyridin-3-one
SMILESO=C1CC=CN=C1/N=N/c1ccccc1
InChIInChI=1S/C11H9N3O/c15-10-7-4-8-12-11(10)14-13-9-5-2-1-3-6-9/h1-6,8H,7H2/b14-13+
InChIKeyZDTGILRFBRHEPZ-BUHFOSPRSA-N
XLogP2.66
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenyldiazenyl-4H-pyridin-3-one?
The IUPAC name of 2-phenyldiazenyl-4H-pyridin-3-one (CID 173291020) is 2-phenyldiazenyl-4H-pyridin-3-one.
What is the SMILES notation for 2-phenyldiazenyl-4H-pyridin-3-one?
The canonical SMILES for 2-phenyldiazenyl-4H-pyridin-3-one is O=C1CC=CN=C1/N=N/c1ccccc1.
What is the InChIKey of 2-phenyldiazenyl-4H-pyridin-3-one?
The InChIKey is ZDTGILRFBRHEPZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H9N3O/c15-10-7-4-8-12-11(10)14-13-9-5-2-1-3-6-9/h1-6,8H,7H2/b14-13+.
What are the key properties of 2-phenyldiazenyl-4H-pyridin-3-one?
2-phenyldiazenyl-4H-pyridin-3-one has a molecular weight of 199.21 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenyl-4H-pyridin-3-one is sourced from PubChem (CID 173291020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).