6-hydroxynaphthalene-2-sulfonic acid;nickel

C10H8NiO4S — CID 175470147

IUPAC6-hydroxynaphthalene-2-sulfonic acid;nickel
SMILESO=S(=O)(O)c1ccc2cc(O)ccc2c1.[Ni]
InChIInChI=1S/C10H8O4S.Ni/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);
InChIKeySYHNJWDPKJNIDB-UHFFFAOYSA-N
MW282.93 g/mol
LogP1.79
Rot. Bonds1

About 6-hydroxynaphthalene-2-sulfonic acid;nickel

6-hydroxynaphthalene-2-sulfonic acid;nickel (PubChem CID 175470147) has the molecular formula C10H8NiO4S and a molecular weight of 282.93 g/mol. Its IUPAC name is 6-hydroxynaphthalene-2-sulfonic acid;nickel.

Molecular Properties

Compound Name6-hydroxynaphthalene-2-sulfonic acid;nickel
PubChem CID175470147
Molecular FormulaC10H8NiO4S
Molecular Weight282.93 g/mol
Exact Mass281.95
IUPAC Name6-hydroxynaphthalene-2-sulfonic acid;nickel
SMILESO=S(=O)(O)c1ccc2cc(O)ccc2c1.[Ni]
InChIInChI=1S/C10H8O4S.Ni/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);
InChIKeySYHNJWDPKJNIDB-UHFFFAOYSA-N
XLogP1.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.93
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxynaphthalene-2-sulfonic acid;nickel?
The IUPAC name of 6-hydroxynaphthalene-2-sulfonic acid;nickel (CID 175470147) is 6-hydroxynaphthalene-2-sulfonic acid;nickel.
What is the SMILES notation for 6-hydroxynaphthalene-2-sulfonic acid;nickel?
The canonical SMILES for 6-hydroxynaphthalene-2-sulfonic acid;nickel is O=S(=O)(O)c1ccc2cc(O)ccc2c1.[Ni].
What is the InChIKey of 6-hydroxynaphthalene-2-sulfonic acid;nickel?
The InChIKey is SYHNJWDPKJNIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S.Ni/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);.
What are the key properties of 6-hydroxynaphthalene-2-sulfonic acid;nickel?
6-hydroxynaphthalene-2-sulfonic acid;nickel has a molecular weight of 282.93 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxynaphthalene-2-sulfonic acid;nickel is sourced from PubChem (CID 175470147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).