4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid

C15H11N3O8S2 — CID 135673455

IUPAC4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2c(O)c(/N=N/c3ccccn3)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C15H11N3O8S2/c19-10-7-9(27(21,22)23)5-8-6-11(28(24,25)26)14(15(20)13(8)10)18-17-12-3-1-2-4-16-12/h1-7,19-20H,(H,21,22,23)(H,24,25,26)/b18-17+
InChIKeyMJTZJDRAIFALLM-ISLYRVAYSA-N
MW425.40 g/mol
LogP2.55
Rot. Bonds4

About 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid

4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid (PubChem CID 135673455) has the molecular formula C15H11N3O8S2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid
PubChem CID135673455
Molecular FormulaC15H11N3O8S2
Molecular Weight425.40 g/mol
Exact Mass425.00
IUPAC Name4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2c(O)c(/N=N/c3ccccn3)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C15H11N3O8S2/c19-10-7-9(27(21,22)23)5-8-6-11(28(24,25)26)14(15(20)13(8)10)18-17-12-3-1-2-4-16-12/h1-7,19-20H,(H,21,22,23)(H,24,25,26)/b18-17+
InChIKeyMJTZJDRAIFALLM-ISLYRVAYSA-N
XLogP2.55
TPSA186.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

4-Hydroxy-3-[2-(2-pyridinyl)diazenyl]-1-naphthalenesulfonic acid
CID 82725
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-pyridinylazo)-
CID 136026393
5-[(5-Bromo-2-pyridinyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
CID 136048636
Copper(II) 2-(2-pyridylazo)-1-naphthol-4-sulfonate
CID 163409676
2-Naphthalenesulfonamide, 5-hydroxy-6-[2-(2-pyridinyl)diazenyl]-
CID 136665583
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(4-methyl-2-pyridinyl)diazenyl]-
CID 136666309
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(2-thiazolylazo)-
CID 4169388
1-Hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid
CID 19933584
6-Anilino-4-hydroxynaphthalene-2-sulfonic acid;pyridine-3-sulfonic acid
CID 88207768
4-Hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
CID 135702820
4-Hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonamide
CID 135706147
4,5-Dihydroxy-3-[[2-(quinolin-2-yldiazenyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 135710998

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid?
The IUPAC name of 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid (CID 135673455) is 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid.
What is the SMILES notation for 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid?
The canonical SMILES for 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid is O=S(=O)(O)c1cc(O)c2c(O)c(/N=N/c3ccccn3)c(S(=O)(=O)O)cc2c1.
What is the InChIKey of 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid?
The InChIKey is MJTZJDRAIFALLM-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11N3O8S2/c19-10-7-9(27(21,22)23)5-8-6-11(28(24,25)26)14(15(20)13(8)10)18-17-12-3-1-2-4-16-12/h1-7,19-20H,(H,21,22,23)(H,24,25,26)/b18-17+.
What are the key properties of 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid?
4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid has a molecular weight of 425.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2,7-disulfonic acid is sourced from PubChem (CID 135673455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).