(4-hydroxybenzoyl)azaniumylideneazanide

C7H6N2O2 — CID 132502460

IUPAC(4-hydroxybenzoyl)azaniumylideneazanide
SMILES[N-]=[NH+]C(=O)c1ccc(O)cc1
InChIInChI=1S/C7H6N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,9-10H
InChIKeyWADGEBUJUHMBKX-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.37
Rot. Bonds1

About (4-hydroxybenzoyl)azaniumylideneazanide

(4-hydroxybenzoyl)azaniumylideneazanide (PubChem CID 132502460) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is (4-hydroxybenzoyl)azaniumylideneazanide.

Molecular Properties

Compound Name(4-hydroxybenzoyl)azaniumylideneazanide
PubChem CID132502460
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name(4-hydroxybenzoyl)azaniumylideneazanide
SMILES[N-]=[NH+]C(=O)c1ccc(O)cc1
InChIInChI=1S/C7H6N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,9-10H
InChIKeyWADGEBUJUHMBKX-UHFFFAOYSA-N
XLogP-0.37
TPSA73.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4-hydroxybenzoyl)azaniumylideneazanide?
The IUPAC name of (4-hydroxybenzoyl)azaniumylideneazanide (CID 132502460) is (4-hydroxybenzoyl)azaniumylideneazanide.
What is the SMILES notation for (4-hydroxybenzoyl)azaniumylideneazanide?
The canonical SMILES for (4-hydroxybenzoyl)azaniumylideneazanide is [N-]=[NH+]C(=O)c1ccc(O)cc1.
What is the InChIKey of (4-hydroxybenzoyl)azaniumylideneazanide?
The InChIKey is WADGEBUJUHMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,9-10H.
What are the key properties of (4-hydroxybenzoyl)azaniumylideneazanide?
(4-hydroxybenzoyl)azaniumylideneazanide has a molecular weight of 150.14 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxybenzoyl)azaniumylideneazanide is sourced from PubChem (CID 132502460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).