2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol

C12H9N3O5 — CID 135986053

IUPAC2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1c(O)cc(O)cc1O
InChIInChI=1S/C12H9N3O5/c16-7-5-10(17)12(11(18)6-7)14-13-8-3-1-2-4-9(8)15(19)20/h1-6,16-18H/b14-13+
InChIKeyZUJWWSQLRFPLTH-BUHFOSPRSA-N
MW275.22 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol

2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol (PubChem CID 135986053) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
PubChem CID135986053
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
SMILESO=[N+]([O-])c1ccccc1/N=N/c1c(O)cc(O)cc1O
InChIInChI=1S/C12H9N3O5/c16-7-5-10(17)12(11(18)6-7)14-13-8-3-1-2-4-9(8)15(19)20/h1-6,16-18H/b14-13+
InChIKeyZUJWWSQLRFPLTH-BUHFOSPRSA-N
XLogP3.13
TPSA128.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-nitrophenyl)-phenyldiazene;phenol
CID 20526289
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
[3-hydroxy-2-[(2-nitrophenyl)diazenyl]-5-phenylmethoxyphenyl]-phenylmethanone
CID 136620731
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 2754543
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
CID 141193213
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 2754545
chloro-(2-nitrophenyl)diazene
CID 13403227
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
4-[(4-chloro-2-nitrophenyl)diazenyl]benzene-1,3-diol
CID 135554972
2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
CID 136827510

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol?
The IUPAC name of 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol (CID 135986053) is 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol is O=[N+]([O-])c1ccccc1/N=N/c1c(O)cc(O)cc1O.
What is the InChIKey of 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol?
The InChIKey is ZUJWWSQLRFPLTH-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-7-5-10(17)12(11(18)6-7)14-13-8-3-1-2-4-9(8)15(19)20/h1-6,16-18H/b14-13+.
What are the key properties of 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol?
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol has a molecular weight of 275.22 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol is sourced from PubChem (CID 135986053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).