cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)

C52H42Co2N16-2 — CID 162153210

IUPACcobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
SMILESC1=CN(c2cccc(-c3ccccn3)n2)[N-]C1.C1=CN(c2cccc(-c3ccccn3)n2)[N-]C1.[Co].[Co].c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1
InChIInChI=1S/2C13H11N4.2C13H10N4.2Co/c4*1-2-8-14-11(5-1)12-6-3-7-13(16-12)17-10-4-9-15-17;;/h2*1-8,10H,9H2;2*1-10H;;/q2*-1;;;;
InChIKeyANDUGBVPEZQBNT-UHFFFAOYSA-N
MW1008.89 g/mol
LogP10.19
Rot. Bonds8

About cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)

cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) (PubChem CID 162153210) has the molecular formula C52H42Co2N16-2 and a molecular weight of 1008.89 g/mol. Its IUPAC name is cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine).

Molecular Properties

Compound Namecobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
PubChem CID162153210
Molecular FormulaC52H42Co2N16-2
Molecular Weight1008.89 g/mol
Exact Mass1008.25
IUPAC Namecobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)
SMILESC1=CN(c2cccc(-c3ccccn3)n2)[N-]C1.C1=CN(c2cccc(-c3ccccn3)n2)[N-]C1.[Co].[Co].c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1
InChIInChI=1S/2C13H11N4.2C13H10N4.2Co/c4*1-2-8-14-11(5-1)12-6-3-7-13(16-12)17-10-4-9-15-17;;/h2*1-8,10H,9H2;2*1-10H;;/q2*-1;;;;
InChIKeyANDUGBVPEZQBNT-UHFFFAOYSA-N
XLogP10.19
TPSA173.44 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.89
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
The IUPAC name of cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) (CID 162153210) is cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine).
What is the SMILES notation for cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
The canonical SMILES for cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) is C1=CN(c2cccc(-c3ccccn3)n2)[N-]C1.C1=CN(c2cccc(-c3ccccn3)n2)[N-]C1.[Co].[Co].c1ccc(-c2cccc(-n3cccn3)n2)nc1.c1ccc(-c2cccc(-n3cccn3)n2)nc1.
What is the InChIKey of cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
The InChIKey is ANDUGBVPEZQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11N4.2C13H10N4.2Co/c4*1-2-8-14-11(5-1)12-6-3-7-13(16-12)17-10-4-9-15-17;;/h2*1-8,10H,9H2;2*1-10H;;/q2*-1;;;;.
What are the key properties of cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine)?
cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) has a molecular weight of 1008.89 g/mol, XLogP of 10.19, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-(3H-pyrazol-2-id-1-yl)-6-pyridin-2-ylpyridine);bis(2-pyrazol-1-yl-6-pyridin-2-ylpyridine) is sourced from PubChem (CID 162153210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).