sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide

C13H12N3NaO2 — CID 173441776

IUPACsodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide
SMILESNC(=O)c1cccc(O)c1/N=N/c1ccccc1.[H-].[Na+]
InChIInChI=1S/C13H11N3O2.Na.H/c14-13(18)10-7-4-8-11(17)12(10)16-15-9-5-2-1-3-6-9;;/h1-8,17H,(H2,14,18);;/q;+1;-1/b16-15+;;
InChIKeyCUOLAHBUOCPFRB-VRZXRVJBSA-N
MW265.25 g/mol
LogP0.02
Rot. Bonds3

About sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide

sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide (PubChem CID 173441776) has the molecular formula C13H12N3NaO2 and a molecular weight of 265.25 g/mol. Its IUPAC name is sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide.

Molecular Properties

Compound Namesodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide
PubChem CID173441776
Molecular FormulaC13H12N3NaO2
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Namesodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide
SMILESNC(=O)c1cccc(O)c1/N=N/c1ccccc1.[H-].[Na+]
InChIInChI=1S/C13H11N3O2.Na.H/c14-13(18)10-7-4-8-11(17)12(10)16-15-9-5-2-1-3-6-9;;/h1-8,17H,(H2,14,18);;/q;+1;-1/b16-15+;;
InChIKeyCUOLAHBUOCPFRB-VRZXRVJBSA-N
XLogP0.02
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
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 sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide?
The IUPAC name of sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide (CID 173441776) is sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide.
What is the SMILES notation for sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide?
The canonical SMILES for sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide is NC(=O)c1cccc(O)c1/N=N/c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide?
The InChIKey is CUOLAHBUOCPFRB-VRZXRVJBSA-N. The full InChI is InChI=1S/C13H11N3O2.Na.H/c14-13(18)10-7-4-8-11(17)12(10)16-15-9-5-2-1-3-6-9;;/h1-8,17H,(H2,14,18);;/q;+1;-1/b16-15+;;.
What are the key properties of sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide?
sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide has a molecular weight of 265.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-hydroxy-2-phenyldiazenylbenzamide is sourced from PubChem (CID 173441776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).