cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)

C22H18CoN4O8S2 — CID 139061442

IUPACcobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)
SMILESO=S(=O)([O-])C(O)(c1ccccn1)c1ccccn1.O=S(=O)([O-])C(O)(c1ccccn1)c1ccccn1.[Co+2]
InChIInChI=1S/2C11H10N2O4S.Co/c2*14-11(18(15,16)17,9-5-1-3-7-12-9)10-6-2-4-8-13-10;/h2*1-8,14H,(H,15,16,17);/q;;+2/p-2
InChIKeyHJUQIDKUYZUDIZ-UHFFFAOYSA-L
MW589.47 g/mol
LogP0.43
Rot. Bonds6

About cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)

cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate) (PubChem CID 139061442) has the molecular formula C22H18CoN4O8S2 and a molecular weight of 589.47 g/mol. Its IUPAC name is cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate).

Molecular Properties

Compound Namecobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)
PubChem CID139061442
Molecular FormulaC22H18CoN4O8S2
Molecular Weight589.47 g/mol
Exact Mass588.99
IUPAC Namecobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)
SMILESO=S(=O)([O-])C(O)(c1ccccn1)c1ccccn1.O=S(=O)([O-])C(O)(c1ccccn1)c1ccccn1.[Co+2]
InChIInChI=1S/2C11H10N2O4S.Co/c2*14-11(18(15,16)17,9-5-1-3-7-12-9)10-6-2-4-8-13-10;/h2*1-8,14H,(H,15,16,17);/q;;+2/p-2
InChIKeyHJUQIDKUYZUDIZ-UHFFFAOYSA-L
XLogP0.43
TPSA206.42 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.47
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[Co(bpyPY2OH)(MeCN)(OTf)](OTf)
CID 139042188
Oxidanium;2,6-bis[methoxy(dipyridin-2-yl)methyl]pyridine;iron(2+);bis(trifluoromethanesulfonate)
CID 168337339
2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine
CID 90820104
Tris(6-pyridin-2-yl-2-pyridinyl)methanol
CID 90818925
Pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol
CID 102494319
Bis(dipyridin-2-ylmethanediol);platinum(2+);dichloride;tetrahydrate
CID 139053883
Bis(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate
CID 139055522
Bis(di-2-pyridylmethandiol)copper(II) diperchlorate
CID 139056061
Bis[tris(pyridin-2-yl)methanol-kappa^2^N]palladium(II) dinitrate
CID 139059298
bis[hydroxybis(pyridin-2-yl)methanesulfonato-kappa^3^N,O,N']copper(II) hexahydrate
CID 139061441
bis(di-2-pyridylmethanediol-kappa^3^N,O,N')copper(II) diacetate tetrahydrate
CID 139065937
Bis(di-2-pyridylmethanediol-kappa^3^N,N',O)manganese(II) bis(acetate) tetrahydrate
CID 139070537

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)?
The IUPAC name of cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate) (CID 139061442) is cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate).
What is the SMILES notation for cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)?
The canonical SMILES for cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate) is O=S(=O)([O-])C(O)(c1ccccn1)c1ccccn1.O=S(=O)([O-])C(O)(c1ccccn1)c1ccccn1.[Co+2].
What is the InChIKey of cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)?
The InChIKey is HJUQIDKUYZUDIZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H10N2O4S.Co/c2*14-11(18(15,16)17,9-5-1-3-7-12-9)10-6-2-4-8-13-10;/h2*1-8,14H,(H,15,16,17);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate)?
cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate) has a molecular weight of 589.47 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(hydroxy(dipyridin-2-yl)methanesulfonate) is sourced from PubChem (CID 139061442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).