3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid

C10H7ClO7S2 — CID 86057490

IUPAC3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cc(Cl)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H7ClO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,(H,13,14,15)(H,16,17,18)
InChIKeyCQNFRXYXZUNPNZ-UHFFFAOYSA-N
MW338.75 g/mol
LogP1.69
Rot. Bonds2

About 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid

3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid (PubChem CID 86057490) has the molecular formula C10H7ClO7S2 and a molecular weight of 338.75 g/mol. Its IUPAC name is 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
PubChem CID86057490
Molecular FormulaC10H7ClO7S2
Molecular Weight338.75 g/mol
Exact Mass337.93
IUPAC Name3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cc(Cl)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H7ClO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,(H,13,14,15)(H,16,17,18)
InChIKeyCQNFRXYXZUNPNZ-UHFFFAOYSA-N
XLogP1.69
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 87126465
CID 87126465
3-amino-6-chloro-4-hydroxynaphthalene-2,7-disulfonic acid
CID 143063605
3-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid;3-amino-5-hydroxynaphthalene-2,7-disulfonic acid
CID 19105479
Chromotropic acid sodium salt
CID 88518702
7-[(2-chlorophenyl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid
CID 155589443
7-amino-6-hydroxynaphthalene-1,3-disulfonic acid
CID 22616894
6-(5-chloro-2-hydroxyanilino)-4-hydroxynaphthalene-2-sulfonic acid
CID 174450871
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
3-hydroxy-5,7-disulfonaphthalene-2-carboxylic acid
CID 23422563
3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
CID 20736921
5-hydroxynaphthalene-1,7-disulfonic acid
CID 21259642
4-hydroxy-6-(3-methyl-4-sulfoanilino)naphthalene-2-sulfonic acid
CID 88759239

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid?
The IUPAC name of 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid (CID 86057490) is 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid.
What is the SMILES notation for 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid?
The canonical SMILES for 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid is O=S(=O)(O)c1cc(O)c2cc(Cl)c(S(=O)(=O)O)cc2c1.
What is the InChIKey of 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid?
The InChIKey is CQNFRXYXZUNPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,(H,13,14,15)(H,16,17,18).
What are the key properties of 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid?
3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid has a molecular weight of 338.75 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-hydroxynaphthalene-2,7-disulfonic acid is sourced from PubChem (CID 86057490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).