sodium;benzene-1,2-diol;azide

C6H6N3NaO2 — CID 162093593

IUPACsodium;benzene-1,2-diol;azide
SMILESOc1ccccc1O.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C6H6O2.N3.Na/c7-5-3-1-2-4-6(5)8;1-3-2;/h1-4,7-8H;;/q;-1;+1
InChIKeyZDYDYXYDRGKDRY-UHFFFAOYSA-N
MW175.12 g/mol
LogP-1.03
Rot. Bonds

About sodium;benzene-1,2-diol;azide

sodium;benzene-1,2-diol;azide (PubChem CID 162093593) has the molecular formula C6H6N3NaO2 and a molecular weight of 175.12 g/mol. Its IUPAC name is sodium;benzene-1,2-diol;azide.

Molecular Properties

Compound Namesodium;benzene-1,2-diol;azide
PubChem CID162093593
Molecular FormulaC6H6N3NaO2
Molecular Weight175.12 g/mol
Exact Mass175.04
IUPAC Namesodium;benzene-1,2-diol;azide
SMILESOc1ccccc1O.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C6H6O2.N3.Na/c7-5-3-1-2-4-6(5)8;1-3-2;/h1-4,7-8H;;/q;-1;+1
InChIKeyZDYDYXYDRGKDRY-UHFFFAOYSA-N
XLogP-1.03
TPSA99.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 70580296
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benzene-1,2-diol;hydrogen peroxide
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cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
bis(benzene-1,2-diol);methane
CID 158804248
phenol azide
CID 22719179
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CID 20654665
benzene-1,2-diol;methanamine
CID 159187656
CID 6393025
CID 6393025
CID 175605209
CID 175605209
benzene-1,2-diol;cyclohexane
CID 175415805

Frequently Asked Questions

What is the IUPAC name of sodium;benzene-1,2-diol;azide?
The IUPAC name of sodium;benzene-1,2-diol;azide (CID 162093593) is sodium;benzene-1,2-diol;azide.
What is the SMILES notation for sodium;benzene-1,2-diol;azide?
The canonical SMILES for sodium;benzene-1,2-diol;azide is Oc1ccccc1O.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;benzene-1,2-diol;azide?
The InChIKey is ZDYDYXYDRGKDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.N3.Na/c7-5-3-1-2-4-6(5)8;1-3-2;/h1-4,7-8H;;/q;-1;+1.
What are the key properties of sodium;benzene-1,2-diol;azide?
sodium;benzene-1,2-diol;azide has a molecular weight of 175.12 g/mol, XLogP of -1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzene-1,2-diol;azide is sourced from PubChem (CID 162093593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).