sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

C32H25CoN9NaO10S+ — CID 170846797

IUPACsodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1[n-]n(-c2ccc(S([NH3+])(=O)=O)cc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1O.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Co].[Na+]
InChIInChI=1S/C16H14N6O6S.C16H11N3O4.Co.Na/c1-9-15(19-18-13-8-11(22(25)26)4-7-14(13)23)16(24)21(20-9)10-2-5-12(6-3-10)29(17,27)28;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;/h2-8H,1H3,(H4,17,18,19,20,23,24,27,28);1-9,20-21H;;/q;;;+1/b;18-17+;;
InChIKeyVBKXMRGUQRUCJP-IRSPKMKOSA-N
MW809.59 g/mol
LogP2.64
Rot. Bonds8

About sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 170846797) has the molecular formula C32H25CoN9NaO10S+ and a molecular weight of 809.59 g/mol. Its IUPAC name is sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Namesodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID170846797
Molecular FormulaC32H25CoN9NaO10S+
Molecular Weight809.59 g/mol
Exact Mass809.07
IUPAC Namesodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESCc1[n-]n(-c2ccc(S([NH3+])(=O)=O)cc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1O.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Co].[Na+]
InChIInChI=1S/C16H14N6O6S.C16H11N3O4.Co.Na/c1-9-15(19-18-13-8-11(22(25)26)4-7-14(13)23)16(24)21(20-9)10-2-5-12(6-3-10)29(17,27)28;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;/h2-8H,1H3,(H4,17,18,19,20,23,24,27,28);1-9,20-21H;;/q;;;+1/b;18-17+;;
InChIKeyVBKXMRGUQRUCJP-IRSPKMKOSA-N
XLogP2.64
TPSA294.29 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.59
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
sodium;cobalt(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitrophenolate;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 165362647
chromium;hydron;4-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-4-id-1-yl]benzenesulfonic acid;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 91668136
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
CID 156599392
sodium;cobalt;bis(1-[(5-ethylsulfonyl-2-hydroxyphenyl)diazenyl]naphthalen-2-ol)
CID 170839898
sodium;chromium(3+);4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;hydroxide;dihydrate
CID 165360775
chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate
CID 170854018
copper;hydron;4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate
CID 165361118
sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
CID 170840846
azane;chromium;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenyl]oxidanium
CID 170847451
sodium 2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate
CID 136784995
sodium;chromium(3+);2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-sulfamoylphenolate;1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate
CID 165360700

Frequently Asked Questions

What is the IUPAC name of sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 170846797) is sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is Cc1[n-]n(-c2ccc(S([NH3+])(=O)=O)cc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1O.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Co].[Na+].
What is the InChIKey of sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is VBKXMRGUQRUCJP-IRSPKMKOSA-N. The full InChI is InChI=1S/C16H14N6O6S.C16H11N3O4.Co.Na/c1-9-15(19-18-13-8-11(22(25)26)4-7-14(13)23)16(24)21(20-9)10-2-5-12(6-3-10)29(17,27)28;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;/h2-8H,1H3,(H4,17,18,19,20,23,24,27,28);1-9,20-21H;;/q;;;+1/b;18-17+;;.
What are the key properties of sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?
sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 809.59 g/mol, XLogP of 2.64, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cobalt;[4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxopyrazol-2-id-1-yl]phenyl]sulfonylazanium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 170846797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).