(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium

C13H9N3O2 — CID 142757545

IUPAC(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium
SMILESN#Cc1ccc(/N=[N+](\[O-])c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9N3O2/c14-9-10-1-3-11(4-2-10)15-16(18)12-5-7-13(17)8-6-12/h1-8,17H/b16-15-
InChIKeyYSUIEPHXHWNQQZ-NXVVXOECSA-N
MW239.23 g/mol
LogP3.19
Rot. Bonds2

About (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium

(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium (PubChem CID 142757545) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium.

Molecular Properties

Compound Name(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium
PubChem CID142757545
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium
SMILESN#Cc1ccc(/N=[N+](\[O-])c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9N3O2/c14-9-10-1-3-11(4-2-10)15-16(18)12-5-7-13(17)8-6-12/h1-8,17H/b16-15-
InChIKeyYSUIEPHXHWNQQZ-NXVVXOECSA-N
XLogP3.19
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium?
The IUPAC name of (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium (CID 142757545) is (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium.
What is the SMILES notation for (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium?
The canonical SMILES for (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium is N#Cc1ccc(/N=[N+](\[O-])c2ccc(O)cc2)cc1.
What is the InChIKey of (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium?
The InChIKey is YSUIEPHXHWNQQZ-NXVVXOECSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-9-10-1-3-11(4-2-10)15-16(18)12-5-7-13(17)8-6-12/h1-8,17H/b16-15-.
What are the key properties of (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium?
(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium has a molecular weight of 239.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium is sourced from PubChem (CID 142757545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).