7-amino-6-hydroxynaphthalene-1,3-disulfonic acid

C10H9NO7S2 — CID 22616894

IUPAC7-amino-6-hydroxynaphthalene-1,3-disulfonic acid
SMILESNc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1O
InChIInChI=1S/C10H9NO7S2/c11-8-4-7-5(2-9(8)12)1-6(19(13,14)15)3-10(7)20(16,17)18/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyCUJGROXHJQNORR-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.62
Rot. Bonds2

About 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid

7-amino-6-hydroxynaphthalene-1,3-disulfonic acid (PubChem CID 22616894) has the molecular formula C10H9NO7S2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid.

Molecular Properties

Compound Name7-amino-6-hydroxynaphthalene-1,3-disulfonic acid
PubChem CID22616894
Molecular FormulaC10H9NO7S2
Molecular Weight319.32 g/mol
Exact Mass318.98
IUPAC Name7-amino-6-hydroxynaphthalene-1,3-disulfonic acid
SMILESNc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1O
InChIInChI=1S/C10H9NO7S2/c11-8-4-7-5(2-9(8)12)1-6(19(13,14)15)3-10(7)20(16,17)18/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
InChIKeyCUJGROXHJQNORR-UHFFFAOYSA-N
XLogP0.62
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7-aminonaphthalene-1,3,5-trisulfonic acid;7-aminonaphthalene-1,3,6-trisulfonic acid
CID 88742909
3-hydroxy-5,7-disulfonaphthalene-2-carboxylic acid
CID 23422563
7-aminonaphthalene-1,3-disulfonic acid;tetrahydrate
CID 76962518
6-methyl-7-(methylamino)naphthalene-1,3-disulfonic acid
CID 18343814
7-diazenylnaphthalene-1,3,6-trisulfonic acid
CID 142234903
3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid
CID 143119563
3-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid;3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
CID 19105479
2-hydroxynaphthalene-1,3,6-trisulfonic acid;7-hydroxynaphthalene-1,3,6-trisulfonic acid
CID 88606233
CID 87126465
CID 87126465
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
6-(5,7-disulfonaphthalen-2-yl)oxynaphthalene-1,3-disulfonic acid
CID 166611301
3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
CID 86057490

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid?
The IUPAC name of 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid (CID 22616894) is 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid.
What is the SMILES notation for 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid?
The canonical SMILES for 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid is Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1O.
What is the InChIKey of 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid?
The InChIKey is CUJGROXHJQNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO7S2/c11-8-4-7-5(2-9(8)12)1-6(19(13,14)15)3-10(7)20(16,17)18/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18).
What are the key properties of 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid?
7-amino-6-hydroxynaphthalene-1,3-disulfonic acid has a molecular weight of 319.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-hydroxynaphthalene-1,3-disulfonic acid is sourced from PubChem (CID 22616894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).