4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid

C16H13N3O4S — CID 135702820

IUPAC4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
SMILESCc1cccnc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1O
InChIInChI=1S/C16H13N3O4S/c1-10-5-4-8-17-16(10)19-18-13-9-14(24(21,22)23)11-6-2-3-7-12(11)15(13)20/h2-9,20H,1H3,(H,21,22,23)/b19-18+
InChIKeyXPFMORWJBZSXTG-VHEBQXMUSA-N
MW343.36 g/mol
LogP3.91
Rot. Bonds3

About 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid

4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid (PubChem CID 135702820) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
PubChem CID135702820
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
SMILESCc1cccnc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1O
InChIInChI=1S/C16H13N3O4S/c1-10-5-4-8-17-16(10)19-18-13-9-14(24(21,22)23)11-6-2-3-7-12(11)15(13)20/h2-9,20H,1H3,(H,21,22,23)/b19-18+
InChIKeyXPFMORWJBZSXTG-VHEBQXMUSA-N
XLogP3.91
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.91
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

2-(2-Pyridylazo)-1-naphthol
CID 2831996
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid
CID 164622177
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
4-(Chlorosulphonyl)-2-(2-pyridylazo)-1-naphthyl pivalate
CID 16205935
2-(2-Pyridylazo)-4-sulpho-1-naphthyl pivalate
CID 16205936
1-Naphthalenol, 2-[2-(5-methyl-2-pyridinyl)diazenyl]-
CID 135999262
1-Naphthalenol, 4-(methylthio)-2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661049
1-Naphthalenesulfonamide, 4-hydroxy-3-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661092
1-Naphthalenol, 4-methyl-2-[2-(3-methyl-2-pyridinyl)diazenyl]-
CID 136662692

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid (CID 135702820) is 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid is Cc1cccnc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1O.
What is the InChIKey of 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is XPFMORWJBZSXTG-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-10-5-4-8-17-16(10)19-18-13-9-14(24(21,22)23)11-6-2-3-7-12(11)15(13)20/h2-9,20H,1H3,(H,21,22,23)/b19-18+.
What are the key properties of 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid?
4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 343.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 135702820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).