2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese

C7H6MnNO7S- — CID 158977171

IUPAC2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese
SMILESCc1cc([N+](=O)[O-])c(O)c(S(=O)(=O)[O-])c1O.[Mn]
InChIInChI=1S/C7H7NO7S.Mn/c1-3-2-4(8(11)12)6(10)7(5(3)9)16(13,14)15;/h2,9-10H,1H3,(H,13,14,15);/p-1
InChIKeyYBSKEUKMQIOIIB-UHFFFAOYSA-M
MW303.13 g/mol
LogP0.22
Rot. Bonds2

About 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese

2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese (PubChem CID 158977171) has the molecular formula C7H6MnNO7S- and a molecular weight of 303.13 g/mol. Its IUPAC name is 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese.

Molecular Properties

Compound Name2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese
PubChem CID158977171
Molecular FormulaC7H6MnNO7S-
Molecular Weight303.13 g/mol
Exact Mass302.93
IUPAC Name2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese
SMILESCc1cc([N+](=O)[O-])c(O)c(S(=O)(=O)[O-])c1O.[Mn]
InChIInChI=1S/C7H7NO7S.Mn/c1-3-2-4(8(11)12)6(10)7(5(3)9)16(13,14)15;/h2,9-10H,1H3,(H,13,14,15);/p-1
InChIKeyYBSKEUKMQIOIIB-UHFFFAOYSA-M
XLogP0.22
TPSA140.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
4-(4-hydroxy-3-methyl-5-nitrophenoxy)-2-methyl-6-nitrophenol
CID 57107290
2-chloro-3,4-dimethyl-6-nitrophenol
CID 10821959
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
3-amino-4-hydroxy-5-nitrobenzenesulfonate
CID 5144731
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
4-methyl-6-nitro-1-benzothiophen-7-ol
CID 130866337
5-bromo-4-methyl-2-nitrophenol
CID 82184524
ethane-1,2-diol;2-methyl-4,6-dinitrophenol
CID 87637947
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
4-(4-hydroxy-2-methyl-5-nitrophenyl)-5-methyl-2-nitrophenol
CID 18172665
nickel(2+);bis(2,4,6-trinitrobenzenesulfonate)
CID 517494

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese?
The IUPAC name of 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese (CID 158977171) is 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese.
What is the SMILES notation for 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese?
The canonical SMILES for 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese is Cc1cc([N+](=O)[O-])c(O)c(S(=O)(=O)[O-])c1O.[Mn].
What is the InChIKey of 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese?
The InChIKey is YBSKEUKMQIOIIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO7S.Mn/c1-3-2-4(8(11)12)6(10)7(5(3)9)16(13,14)15;/h2,9-10H,1H3,(H,13,14,15);/p-1.
What are the key properties of 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese?
2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese has a molecular weight of 303.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3-methyl-5-nitrobenzenesulfonate;manganese is sourced from PubChem (CID 158977171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).