6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol

C16H11N3O5 — CID 136597366

IUPAC6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol
SMILESO=[N+]([O-])c1cc(/N=N/c2ccc3cc(O)c(O)cc3c2)ccc1O
InChIInChI=1S/C16H11N3O5/c20-14-4-3-12(8-13(14)19(23)24)18-17-11-2-1-9-6-15(21)16(22)7-10(9)5-11/h1-8,20-22H/b18-17+
InChIKeySTLANEJAFXBIKE-ISLYRVAYSA-N
MW325.28 g/mol
LogP4.28
Rot. Bonds3

About 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol

6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol (PubChem CID 136597366) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol.

Molecular Properties

Compound Name6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol
PubChem CID136597366
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol
SMILESO=[N+]([O-])c1cc(/N=N/c2ccc3cc(O)c(O)cc3c2)ccc1O
InChIInChI=1S/C16H11N3O5/c20-14-4-3-12(8-13(14)19(23)24)18-17-11-2-1-9-6-15(21)16(22)7-10(9)5-11/h1-8,20-22H/b18-17+
InChIKeySTLANEJAFXBIKE-ISLYRVAYSA-N
XLogP4.28
TPSA128.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

3-nitronaphthalen-2-ol
CID 15859501
methyl N-cyano-N'-(4-hydroxy-3-nitrophenyl)carbamimidothioate
CID 169360136
4-bromo-2-[(4-chloro-3-nitrophenyl)diazenyl]phenol
CID 3537149
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
CID 165358995
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
azane;2,4-dinitrophenol;hydrate
CID 174664401
4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
4-hydroxy-3-nitrobenzaldehyde
CID 18169
(4-hydroxy-3-nitrophenyl)arsinic acid
CID 154085716
5-[2-(4-hydroxy-3-nitrophenyl)ethynyl]-2-nitrophenol
CID 139639931

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol?
The IUPAC name of 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol (CID 136597366) is 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol.
What is the SMILES notation for 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol?
The canonical SMILES for 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol is O=[N+]([O-])c1cc(/N=N/c2ccc3cc(O)c(O)cc3c2)ccc1O.
What is the InChIKey of 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol?
The InChIKey is STLANEJAFXBIKE-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-14-4-3-12(8-13(14)19(23)24)18-17-11-2-1-9-6-15(21)16(22)7-10(9)5-11/h1-8,20-22H/b18-17+.
What are the key properties of 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol?
6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol has a molecular weight of 325.28 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol is sourced from PubChem (CID 136597366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).