sodium hydroxyimino-(3-methylphenyl)-oxidoazanium

C7H8N2NaO2+ — CID 136668921

IUPACsodium hydroxyimino-(3-methylphenyl)-oxidoazanium
SMILESCc1cccc([N+]([O-])=NO)c1.[Na+]
InChIInChI=1S/C7H8N2O2.Na/c1-6-3-2-4-7(5-6)9(11)8-10;/h2-5,10H,1H3;/q;+1
InChIKeyOZWJYYYEXJULMC-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.02
Rot. Bonds1

About sodium hydroxyimino-(3-methylphenyl)-oxidoazanium

sodium hydroxyimino-(3-methylphenyl)-oxidoazanium (PubChem CID 136668921) has the molecular formula C7H8N2NaO2+ and a molecular weight of 175.14 g/mol. Its IUPAC name is sodium hydroxyimino-(3-methylphenyl)-oxidoazanium.

Molecular Properties

Compound Namesodium hydroxyimino-(3-methylphenyl)-oxidoazanium
PubChem CID136668921
Molecular FormulaC7H8N2NaO2+
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Namesodium hydroxyimino-(3-methylphenyl)-oxidoazanium
SMILESCc1cccc([N+]([O-])=NO)c1.[Na+]
InChIInChI=1S/C7H8N2O2.Na/c1-6-3-2-4-7(5-6)9(11)8-10;/h2-5,10H,1H3;/q;+1
InChIKeyOZWJYYYEXJULMC-UHFFFAOYSA-N
XLogP-1.02
TPSA58.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(3-methylphenyl)-nitroimino-oxidoazanium
CID 177370701
1-methyl-3-nitrobenzene
CID 7422
CID 173135308
CID 173135308
azane;1-methyl-3-nitrobenzene
CID 174504430
1-methyl-3-nitrobenzene chloride
CID 20509973
nitric acid;1,3-xylene
CID 172865118
ethane;methanol;1,3-xylene
CID 156743127
sodium 3-methylphenol
CID 21278687
boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
CID 158144841
phosphane;tris(1,3-xylene)
CID 67351774
ethane;1,3-xylene
CID 54570178
argon;1,3-xylene
CID 161468194

Frequently Asked Questions

What is the IUPAC name of sodium hydroxyimino-(3-methylphenyl)-oxidoazanium?
The IUPAC name of sodium hydroxyimino-(3-methylphenyl)-oxidoazanium (CID 136668921) is sodium hydroxyimino-(3-methylphenyl)-oxidoazanium.
What is the SMILES notation for sodium hydroxyimino-(3-methylphenyl)-oxidoazanium?
The canonical SMILES for sodium hydroxyimino-(3-methylphenyl)-oxidoazanium is Cc1cccc([N+]([O-])=NO)c1.[Na+].
What is the InChIKey of sodium hydroxyimino-(3-methylphenyl)-oxidoazanium?
The InChIKey is OZWJYYYEXJULMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.Na/c1-6-3-2-4-7(5-6)9(11)8-10;/h2-5,10H,1H3;/q;+1.
What are the key properties of sodium hydroxyimino-(3-methylphenyl)-oxidoazanium?
sodium hydroxyimino-(3-methylphenyl)-oxidoazanium has a molecular weight of 175.14 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxyimino-(3-methylphenyl)-oxidoazanium is sourced from PubChem (CID 136668921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).