1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid

C15H11N3O4S — CID 19933584

IUPAC1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1c(/N=N/c2ccccn2)cc2ccccc2c1O
InChIInChI=1S/C15H11N3O4S/c19-14-11-6-2-1-5-10(11)9-12(15(14)23(20,21)22)17-18-13-7-3-4-8-16-13/h1-9,19H,(H,20,21,22)/b18-17+
InChIKeyOBFVHTJCGDLCIQ-ISLYRVAYSA-N
MW329.34 g/mol
LogP3.60
Rot. Bonds3

About 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid

1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid (PubChem CID 19933584) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid
PubChem CID19933584
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1c(/N=N/c2ccccn2)cc2ccccc2c1O
InChIInChI=1S/C15H11N3O4S/c19-14-11-6-2-1-5-10(11)9-12(15(14)23(20,21)22)17-18-13-7-3-4-8-16-13/h1-9,19H,(H,20,21,22)/b18-17+
InChIKeyOBFVHTJCGDLCIQ-ISLYRVAYSA-N
XLogP3.60
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

CID 82725
CID 82725
CID 136026393
CID 136026393
CID 129890576
CID 129890576
CID 163409676
CID 163409676
CID 136665583
CID 136665583
CID 21022874
CID 21022874
CID 88597412
CID 88597412
CID 135673455
CID 135673455
CID 135702820
CID 135702820
CID 135789546
CID 135789546
CID 135990441
CID 135990441
CID 136145638
CID 136145638

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid?
The IUPAC name of 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid (CID 19933584) is 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid.
What is the SMILES notation for 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid?
The canonical SMILES for 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid is O=S(=O)(O)c1c(/N=N/c2ccccn2)cc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid?
The InChIKey is OBFVHTJCGDLCIQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-14-11-6-2-1-5-10(11)9-12(15(14)23(20,21)22)17-18-13-7-3-4-8-16-13/h1-9,19H,(H,20,21,22)/b18-17+.
What are the key properties of 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid?
1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid has a molecular weight of 329.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid is sourced from PubChem (CID 19933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).