cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate

C35H32B2CoF8N6O3 — CID 139165584

IUPACcobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate
SMILESCC(C)=O.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2]
InChIInChI=1S/2C16H13N3O.C3H6O.2BF4.Co/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;1-3(2)4;2*2-1(3,4)5;/h2*2-11H,1H3;1-2H3;;;/q;;;2*-1;+2
InChIKeyVCYFHABHLZUOQA-UHFFFAOYSA-N
MW817.22 g/mol
LogP9.62
Rot. Bonds6

About cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate

cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate (PubChem CID 139165584) has the molecular formula C35H32B2CoF8N6O3 and a molecular weight of 817.22 g/mol. Its IUPAC name is cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate.

Molecular Properties

Compound Namecobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate
PubChem CID139165584
Molecular FormulaC35H32B2CoF8N6O3
Molecular Weight817.22 g/mol
Exact Mass817.19
IUPAC Namecobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate
SMILESCC(C)=O.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2]
InChIInChI=1S/2C16H13N3O.C3H6O.2BF4.Co/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;1-3(2)4;2*2-1(3,4)5;/h2*2-11H,1H3;1-2H3;;;/q;;;2*-1;+2
InChIKeyVCYFHABHLZUOQA-UHFFFAOYSA-N
XLogP9.62
TPSA112.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.22
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-Formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 145833939
2-(6,6-Difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-4-(trifluoromethyl)pyridine
CID 157452263
[2-[4-Formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;2-(4-methylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 157818875
2-(6,6-Difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-methyl-5-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3,4-dihydropyrazole;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-4-(trifluoromethyl)pyridine
CID 161030354
Cobalt(2+);bis(4-hexadecoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;bis(tetraphenylboranuide)
CID 139129789
bis(N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine);osmium(2+);dihexafluorophosphate
CID 139143424
Tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);propan-2-one;ruthenium(2+);dihexafluorophosphate
CID 139158992
ZINC;tris(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);dihexafluorophosphate
CID 139176301
Cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate
CID 139180702
Bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139184776
Bis(acetonitrile);bis(cobalt(2+));tetrakis(4-methoxy-2,6-dipyridin-2-ylpyridine);tetrahexafluorophosphate
CID 139184777
Cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
CID 139197567

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate?
The IUPAC name of cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate (CID 139165584) is cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate.
What is the SMILES notation for cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate?
The canonical SMILES for cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate is CC(C)=O.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Co+2].
What is the InChIKey of cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate?
The InChIKey is VCYFHABHLZUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N3O.C3H6O.2BF4.Co/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;1-3(2)4;2*2-1(3,4)5;/h2*2-11H,1H3;1-2H3;;;/q;;;2*-1;+2.
What are the key properties of cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate?
cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate has a molecular weight of 817.22 g/mol, XLogP of 9.62, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate is sourced from PubChem (CID 139165584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).