7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid

C14H8Cl2N4O4S — CID 136823052

IUPAC7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cc(/N=N/c2ncc(Cl)cc2Cl)c(O)c2ncccc12
InChIInChI=1S/C14H8Cl2N4O4S/c15-7-4-9(16)14(18-6-7)20-19-10-5-11(25(22,23)24)8-2-1-3-17-12(8)13(10)21/h1-6,21H,(H,22,23,24)/b20-19+
InChIKeyPQXBCCTVTTULOR-FMQUCBEESA-N
MW399.22 g/mol
LogP4.30
Rot. Bonds3

About 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid

7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid (PubChem CID 136823052) has the molecular formula C14H8Cl2N4O4S and a molecular weight of 399.22 g/mol. Its IUPAC name is 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid.

Molecular Properties

Compound Name7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid
PubChem CID136823052
Molecular FormulaC14H8Cl2N4O4S
Molecular Weight399.22 g/mol
Exact Mass397.96
IUPAC Name7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cc(/N=N/c2ncc(Cl)cc2Cl)c(O)c2ncccc12
InChIInChI=1S/C14H8Cl2N4O4S/c15-7-4-9(16)14(18-6-7)20-19-10-5-11(25(22,23)24)8-2-1-3-17-12(8)13(10)21/h1-6,21H,(H,22,23,24)/b20-19+
InChIKeyPQXBCCTVTTULOR-FMQUCBEESA-N
XLogP4.30
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.30
H-Bond Donors ≤ 52
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

8-hydroxy-7-[(2,3,4,5,6-pentafluorophenyl)diazenyl]quinoline-5-sulfonic acid
CID 135974849
8-hydroxy-7-[(2-methylsulfanylphenyl)diazenyl]quinoline-5-sulfonic acid
CID 136704038
CID 135788850
CID 135788850
5-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]naphthalene-1-sulfinate
CID 137142938
8-hydroxy-7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]diazenyl]quinoline-5-sulfonic acid
CID 135974886
3-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 135727413
8-nitrosoquinoline-5-sulfonic acid
CID 121342160
CID 173241757
CID 173241757
8-hydroxy-7-[[4-[(Z)-2-[4-[(8-hydroxy-5-sulfoquinolin-7-yl)methylideneamino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]iminomethyl]quinoline-5-sulfonic acid
CID 135499365
8-hydroxy-7-[(E)-[[(E)-4-[(2E)-2-[(8-hydroxy-5-sulfoquinolin-7-yl)methylidene]hydrazinyl]-4-oxobut-2-enoyl]hydrazinylidene]methyl]quinoline-5-sulfonic acid
CID 135484900
copper;tetrakis(N-ethylethanamine);bis(8-hydroxy-5-sulfoquinoline-7-sulfonate)
CID 118855960
4-[(8-hydroxy-5-morpholin-4-ylsulfonylquinolin-7-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 136740263

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid?
The IUPAC name of 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid (CID 136823052) is 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid.
What is the SMILES notation for 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid?
The canonical SMILES for 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid is O=S(=O)(O)c1cc(/N=N/c2ncc(Cl)cc2Cl)c(O)c2ncccc12.
What is the InChIKey of 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid?
The InChIKey is PQXBCCTVTTULOR-FMQUCBEESA-N. The full InChI is InChI=1S/C14H8Cl2N4O4S/c15-7-4-9(16)14(18-6-7)20-19-10-5-11(25(22,23)24)8-2-1-3-17-12(8)13(10)21/h1-6,21H,(H,22,23,24)/b20-19+.
What are the key properties of 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid?
7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid has a molecular weight of 399.22 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dichloro-2-pyridinyl)diazenyl]-8-hydroxyquinoline-5-sulfonic acid is sourced from PubChem (CID 136823052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).