2-hydroxy-5-phenyldiazenylbenzaldehyde

C13H10N2O2 — CID 555268

IUPAC2-hydroxy-5-phenyldiazenylbenzaldehyde
SMILESO=Cc1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C13H10N2O2/c16-9-10-8-12(6-7-13(10)17)15-14-11-4-2-1-3-5-11/h1-9,17H/b15-14+
InChIKeyXPVBLJIHHYLHOE-CCEZHUSRSA-N
MW226.24 g/mol
LogP3.62
Rot. Bonds3

About 2-hydroxy-5-phenyldiazenylbenzaldehyde

2-hydroxy-5-phenyldiazenylbenzaldehyde (PubChem CID 555268) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-hydroxy-5-phenyldiazenylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-phenyldiazenylbenzaldehyde
PubChem CID555268
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-hydroxy-5-phenyldiazenylbenzaldehyde
SMILESO=Cc1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C13H10N2O2/c16-9-10-8-12(6-7-13(10)17)15-14-11-4-2-1-3-5-11/h1-9,17H/b15-14+
InChIKeyXPVBLJIHHYLHOE-CCEZHUSRSA-N
XLogP3.62
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-Aminosalicylic Acid
CID 4075
Olsalazine
CID 22419
5-Nitrosalicylaldehyde
CID 66808
2-(4-Hydroxyphenylazo)benzoic acid
CID 74215
Mordant Orange 1
CID 15588
4'-Hydroxyazobenzene-4-carboxylic Acid
CID 75620
Mesalamine Hydrochloride
CID 201587
Olsalazine sodium
CID 135413505
Alizarine Yellow R sodium
CID 15587
2-((3'-Methyl-4'-hydroxyphenyl)azo)benzoic acid
CID 448619
5-(Phenylazo)salicylic acid
CID 76603
5-((p-Aminophenyl)azo)salicylic acid
CID 66862

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-phenyldiazenylbenzaldehyde?
The IUPAC name of 2-hydroxy-5-phenyldiazenylbenzaldehyde (CID 555268) is 2-hydroxy-5-phenyldiazenylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-phenyldiazenylbenzaldehyde?
The canonical SMILES for 2-hydroxy-5-phenyldiazenylbenzaldehyde is O=Cc1cc(/N=N/c2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-phenyldiazenylbenzaldehyde?
The InChIKey is XPVBLJIHHYLHOE-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-9-10-8-12(6-7-13(10)17)15-14-11-4-2-1-3-5-11/h1-9,17H/b15-14+.
What are the key properties of 2-hydroxy-5-phenyldiazenylbenzaldehyde?
2-hydroxy-5-phenyldiazenylbenzaldehyde has a molecular weight of 226.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-phenyldiazenylbenzaldehyde is sourced from PubChem (CID 555268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).