cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate

C36H24B2CoF8N12 — CID 139142961

IUPACcobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1
InChIInChI=1S/2C18H12N6.2BF4.Co/c2*1-3-19-4-2-13(1)14-9-15(17-11-20-5-7-22-17)24-16(10-14)18-12-21-6-8-23-18;2*2-1(3,4)5;/h2*1-12H;;;/q;;2*-1;+2
InChIKeyBYFFEPCFDYIJSX-UHFFFAOYSA-N
MW857.21 g/mol
LogP8.71
Rot. Bonds6

About cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate

cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate (PubChem CID 139142961) has the molecular formula C36H24B2CoF8N12 and a molecular weight of 857.21 g/mol. Its IUPAC name is cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate.

Molecular Properties

Compound Namecobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate
PubChem CID139142961
Molecular FormulaC36H24B2CoF8N12
Molecular Weight857.21 g/mol
Exact Mass857.16
IUPAC Namecobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1
InChIInChI=1S/2C18H12N6.2BF4.Co/c2*1-3-19-4-2-13(1)14-9-15(17-11-20-5-7-22-17)24-16(10-14)18-12-21-6-8-23-18;2*2-1(3,4)5;/h2*1-12H;;;/q;;2*-1;+2
InChIKeyBYFFEPCFDYIJSX-UHFFFAOYSA-N
XLogP8.71
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.21
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium
CID 139177757
2-(3-methyl-5-pyridin-4-ylphenyl)pyrazine
CID 144553900
2-(2-phenyl-4-pyridinyl)pyrazine
CID 58421040
iron;2-(6-pyrazin-2-yl-2-pyridinyl)pyrazine
CID 175253430
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
CID 118582495
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate
CID 139034364
2-[4-(2-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]pyrazine
CID 102074639
2-[3-[4,6-bis[3-(3,5-ditert-butylphenyl)phenyl]-2-pyridinyl]phenyl]pyrazine
CID 164834142
2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
CID 134692019
3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
CID 155792666
2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
CID 126730917

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate?
The IUPAC name of cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate (CID 139142961) is cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate.
What is the SMILES notation for cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate?
The canonical SMILES for cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.c1cc(-c2cc(-c3cnccn3)nc(-c3cnccn3)c2)ccn1.
What is the InChIKey of cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate?
The InChIKey is BYFFEPCFDYIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12N6.2BF4.Co/c2*1-3-19-4-2-13(1)14-9-15(17-11-20-5-7-22-17)24-16(10-14)18-12-21-6-8-23-18;2*2-1(3,4)5;/h2*1-12H;;;/q;;2*-1;+2.
What are the key properties of cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate?
cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate has a molecular weight of 857.21 g/mol, XLogP of 8.71, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate is sourced from PubChem (CID 139142961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).