5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid

C23H22N4O7S2 — CID 164622177

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C13H14N4O.C10H8O6S2/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h3-9,18H,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)/b16-15+;
InChIKeyASIQRISOZSNUEG-GEEYTBSJSA-N
MW530.58 g/mol
LogP4.60
Rot. Bonds5

About 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid (PubChem CID 164622177) has the molecular formula C23H22N4O7S2 and a molecular weight of 530.58 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid
PubChem CID164622177
Molecular FormulaC23H22N4O7S2
Molecular Weight530.58 g/mol
Exact Mass530.09
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C13H14N4O.C10H8O6S2/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h3-9,18H,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)/b16-15+;
InChIKeyASIQRISOZSNUEG-GEEYTBSJSA-N
XLogP4.60
TPSA169.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.58
LogP ≤ 54.60
H-Bond Donors ≤ 53
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

5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-methylbenzenesulfonic acid
CID 164621903
Benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164627541
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid
CID 164624948
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-pyridinylazo)-
CID 136026393
4-Hydroxy-3-[(3-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
CID 135702820
6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide
CID 135797558
potassium 4-[4-[(5-bromo-2-pyridinyl)diazenyl]-N-ethyl-3-hydroxyanilino]-2-methylbenzenesulfonate
CID 136008016
4-[4-[(5-bromo-2-pyridinyl)diazenyl]-N-ethyl-3-hydroxyanilino]-2-methylbenzenesulfonic acid
CID 136008017
6-[(1-Hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-5-methylpyridine-3-sulfonic acid
CID 136145638
4-Hydroxy-3-[(5-methyl-2-pyridinyl)diazenyl]naphthalene-1-sulfonic acid
CID 136427577
6,7-Dihydroxy-5-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid
CID 136434956
6,7-Dihydroxy-5-(pyridin-2-yldiazenyl)naphthalene-1,2-disulfonic acid
CID 136461920

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid (CID 164622177) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid is CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid?
The InChIKey is ASIQRISOZSNUEG-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.C10H8O6S2/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h3-9,18H,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)/b16-15+;.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid has a molecular weight of 530.58 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid is sourced from PubChem (CID 164622177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).