sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid

C13H10N3NaO5 — CID 173234784

IUPACsodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O.[H-].[Na+]
InChIInChI=1S/C13H9N3O5.Na.H/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;;/h1-7,17H,(H,18,19);;/q;+1;-1/b15-14+;;
InChIKeyBFGZAAOSSZYMMV-NSKUCRDLSA-N
MW311.23 g/mol
LogP0.53
Rot. Bonds4

About sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid

sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid (PubChem CID 173234784) has the molecular formula C13H10N3NaO5 and a molecular weight of 311.23 g/mol. Its IUPAC name is sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
PubChem CID173234784
Molecular FormulaC13H10N3NaO5
Molecular Weight311.23 g/mol
Exact Mass311.05
IUPAC Namesodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O.[H-].[Na+]
InChIInChI=1S/C13H9N3O5.Na.H/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;;/h1-7,17H,(H,18,19);;/q;+1;-1/b15-14+;;
InChIKeyBFGZAAOSSZYMMV-NSKUCRDLSA-N
XLogP0.53
TPSA125.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
2-hydroxy-5-(4-nitrobenzoyl)benzoic acid
CID 151278706
5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
2-hydroxy-5-(4-nitrophenoxy)benzoic acid
CID 21492504
CID 170854418
CID 170854418
2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
CID 155663799
(4-nitrophenyl)-phenyldiazene
CID 17222
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
sodium;5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid;hydride
CID 173281834
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205
3-carboxy-4-hydroxybenzenesulfonate;(4-nitrophenyl)azanium;hydrate
CID 139086133

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
The IUPAC name of sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid (CID 173234784) is sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid.
What is the SMILES notation for sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
The canonical SMILES for sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid is O=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
The InChIKey is BFGZAAOSSZYMMV-NSKUCRDLSA-N. The full InChI is InChI=1S/C13H9N3O5.Na.H/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;;/h1-7,17H,(H,18,19);;/q;+1;-1/b15-14+;;.
What are the key properties of sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid?
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid has a molecular weight of 311.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid is sourced from PubChem (CID 173234784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).