cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

C30H22B2CoF8N6 — CID 139162066

IUPACcobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2BF4.Co/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*2-1(3,4)5;/h2*1-11H;;;/q;;2*-1;+2
InChIKeyRCCBQYBZHACGJR-UHFFFAOYSA-N
MW699.09 g/mol
LogP9.01
Rot. Bonds4

About cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate

cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (PubChem CID 139162066) has the molecular formula C30H22B2CoF8N6 and a molecular weight of 699.09 g/mol. Its IUPAC name is cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.

Molecular Properties

Compound Namecobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
PubChem CID139162066
Molecular FormulaC30H22B2CoF8N6
Molecular Weight699.09 g/mol
Exact Mass699.13
IUPAC Namecobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2BF4.Co/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*2-1(3,4)5;/h2*1-11H;;;/q;;2*-1;+2
InChIKeyRCCBQYBZHACGJR-UHFFFAOYSA-N
XLogP9.01
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.09
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);platinum(2+)
CID 139127932
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
Bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate
CID 139149293
Cerium(3+);bis(2,6-dipyridin-2-ylpyridine);tris(trifluoromethanesulfonate)
CID 139153054
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(3+));tetrakis(trifluoromethanesulfonate);peroxide
CID 139157903

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The IUPAC name of cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate (CID 139162066) is cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate.
What is the SMILES notation for cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The canonical SMILES for cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
The InChIKey is RCCBQYBZHACGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.2BF4.Co/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*2-1(3,4)5;/h2*1-11H;;;/q;;2*-1;+2.
What are the key properties of cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate?
cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate has a molecular weight of 699.09 g/mol, XLogP of 9.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2,6-dipyridin-2-ylpyridine);ditetrafluoroborate is sourced from PubChem (CID 139162066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).