3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid

C10H8ClNO7S2 — CID 143063605

IUPAC3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid
SMILESNc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(Cl)cc2c1O
InChIInChI=1S/C10H8ClNO7S2/c11-6-3-5-4(1-7(6)20(14,15)16)2-8(21(17,18)19)9(12)10(5)13/h1-3,13H,12H2,(H,14,15,16)(H,17,18,19)
InChIKeyGYQKMHGERUQTOS-UHFFFAOYSA-N
MW353.76 g/mol
LogP1.27
Rot. Bonds2

About 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid

3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid (PubChem CID 143063605) has the molecular formula C10H8ClNO7S2 and a molecular weight of 353.76 g/mol. Its IUPAC name is 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid
PubChem CID143063605
Molecular FormulaC10H8ClNO7S2
Molecular Weight353.76 g/mol
Exact Mass352.94
IUPAC Name3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid
SMILESNc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(Cl)cc2c1O
InChIInChI=1S/C10H8ClNO7S2/c11-6-3-5-4(1-7(6)20(14,15)16)2-8(21(17,18)19)9(12)10(5)13/h1-3,13H,12H2,(H,14,15,16)(H,17,18,19)
InChIKeyGYQKMHGERUQTOS-UHFFFAOYSA-N
XLogP1.27
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 51.27
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

3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
CID 86057490
3,4,6-triamino-5-hydroxynaphthalene-2,7-disulfonic acid
CID 71374363
3-amino-4-hydroxy-7-propylnaphthalene-2-sulfonic acid
CID 145496515
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
4-aminobenzenesulfonic acid;3,6-diamino-4-hydroxynaphthalene-2,7-disulfonic acid;4,7-diaminoisoindole-1,3-dione
CID 145275957
5-amino-2-chloro-4-methoxybenzenesulfonic acid
CID 154102437
strontium;hydride;2,4,5-trichlorobenzenesulfonic acid
CID 173480175
3,6-dichloro-4,5-dihydroxynaphthalene-2,7-disulfonic acid
CID 3791964
2-amino-5-bromo-3-hydroxybenzenesulfonic acid
CID 71375241
sodium 2-amino-5-chloro-4-sulfophenolate
CID 101305426
4-amino-2,1,3-benzothiadiazole-5,7-disulfonic acid;4-amino-2,3,6-trichlorophenol
CID 143250852
2,5-dichloro-4-fluorobenzenesulfonic acid
CID 86635160

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid?
The IUPAC name of 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid (CID 143063605) is 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid.
What is the SMILES notation for 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid?
The canonical SMILES for 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid is Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(Cl)cc2c1O.
What is the InChIKey of 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid?
The InChIKey is GYQKMHGERUQTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO7S2/c11-6-3-5-4(1-7(6)20(14,15)16)2-8(21(17,18)19)9(12)10(5)13/h1-3,13H,12H2,(H,14,15,16)(H,17,18,19).
What are the key properties of 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid?
3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid has a molecular weight of 353.76 g/mol, XLogP of 1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid is sourced from PubChem (CID 143063605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).