copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate

C15H10CuN3O4S — CID 163409676

IUPACcopper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cc(/N=N/c2ccccn2)c(O)c2ccccc12.[Cu+]
InChIInChI=1S/C15H11N3O4S.Cu/c19-15-11-6-2-1-5-10(11)13(23(20,21)22)9-12(15)17-18-14-7-3-4-8-16-14;/h1-9,19H,(H,20,21,22);/q;+1/p-1/b18-17+;
InChIKeyBSGZGONMGWJKPI-ZAGWXBKKSA-M
MW391.88 g/mol
LogP3.26
Rot. Bonds3

About copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate

copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate (PubChem CID 163409676) has the molecular formula C15H10CuN3O4S and a molecular weight of 391.88 g/mol. Its IUPAC name is copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate.

Molecular Properties

Compound Namecopper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate
PubChem CID163409676
Molecular FormulaC15H10CuN3O4S
Molecular Weight391.88 g/mol
Exact Mass390.97
IUPAC Namecopper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cc(/N=N/c2ccccn2)c(O)c2ccccc12.[Cu+]
InChIInChI=1S/C15H11N3O4S.Cu/c19-15-11-6-2-1-5-10(11)13(23(20,21)22)9-12(15)17-18-14-7-3-4-8-16-14;/h1-9,19H,(H,20,21,22);/q;+1/p-1/b18-17+;
InChIKeyBSGZGONMGWJKPI-ZAGWXBKKSA-M
XLogP3.26
TPSA115.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.26
H-Bond Donors ≤ 51
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-Pyridylazo)-1-naphthol
CID 2831996
4-Hydroxy-3-[2-(2-pyridinyl)diazenyl]-1-naphthalenesulfonic acid
CID 82725
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-pyridinylazo)-
CID 136026393
5-[(5-Bromo-2-pyridinyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 136048636
4-(Chlorosulphonyl)-2-(2-pyridylazo)-1-naphthyl pivalate
CID 16205935
2-(2-Pyridylazo)-4-sulpho-1-naphthyl pivalate
CID 16205936
1-Naphthalenol, 2-[2-(5-methyl-2-pyridinyl)diazenyl]-
CID 135999262
1-Naphthalenol, 4-(methylthio)-2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661049
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661092
2-Naphthalenesulfonamide, 5-hydroxy-6-[2-(2-pyridinyl)diazenyl]-
CID 136665583
1-naphthalenesulfonamide, N-(1,1-dimethylethyl)-4-hydroxy-3-[2-(2-pyridinyl)diazenyl]-
CID 136666148
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(4-methyl-2-pyridinyl)diazenyl]-
CID 136666309

Frequently Asked Questions

What is the IUPAC name of copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate?
The IUPAC name of copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate (CID 163409676) is copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate.
What is the SMILES notation for copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate?
The canonical SMILES for copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate is O=S(=O)([O-])c1cc(/N=N/c2ccccn2)c(O)c2ccccc12.[Cu+].
What is the InChIKey of copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate?
The InChIKey is BSGZGONMGWJKPI-ZAGWXBKKSA-M. The full InChI is InChI=1S/C15H11N3O4S.Cu/c19-15-11-6-2-1-5-10(11)13(23(20,21)22)9-12(15)17-18-14-7-3-4-8-16-14;/h1-9,19H,(H,20,21,22);/q;+1/p-1/b18-17+;.
What are the key properties of copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate?
copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate has a molecular weight of 391.88 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);4-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonate is sourced from PubChem (CID 163409676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).