2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde

C13H9N3O4 — CID 155663799

IUPAC2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
SMILESO=Cc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1O
InChIInChI=1S/C13H9N3O4/c17-8-9-1-2-11(7-13(9)18)15-14-10-3-5-12(6-4-10)16(19)20/h1-8,18H/b15-14+
InChIKeyLDUQWZJRNLHILS-CCEZHUSRSA-N
MW271.23 g/mol
LogP3.53
Rot. Bonds4

About 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde

2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde (PubChem CID 155663799) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
PubChem CID155663799
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
SMILESO=Cc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1O
InChIInChI=1S/C13H9N3O4/c17-8-9-1-2-11(7-13(9)18)15-14-10-3-5-12(6-4-10)16(19)20/h1-8,18H/b15-14+
InChIKeyLDUQWZJRNLHILS-CCEZHUSRSA-N
XLogP3.53
TPSA105.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765
2-hydroxy-4-nitrosobenzaldehyde
CID 88927405
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854
(4-nitrophenyl)-phenyldiazene
CID 17222
methyl-(4-nitrophenyl)diazene
CID 20760343
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 177424442
4-azido-2-hydroxybenzaldehyde
CID 14543957
3,4,6-trichloro-2-[(4-nitrophenyl)diazenyl]phenol
CID 136695318
4-[(4-nitrophenyl)diazenyl]pyrimidin-5-ol
CID 135778858
19-[(4-nitrophenyl)diazenyl]-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol
CID 177442985

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde?
The IUPAC name of 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde (CID 155663799) is 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde is O=Cc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde?
The InChIKey is LDUQWZJRNLHILS-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H9N3O4/c17-8-9-1-2-11(7-13(9)18)15-14-10-3-5-12(6-4-10)16(19)20/h1-8,18H/b15-14+.
What are the key properties of 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde?
2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde has a molecular weight of 271.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde is sourced from PubChem (CID 155663799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).