cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)

C30H28CoN8+2 — CID 140695184

IUPACcobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)
SMILESCc1ccnc(-c2cc(C)cc(-n3cccn3)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3cccn3)n2)c1.[Co+2]
InChIInChI=1S/2C15H14N4.Co/c2*1-11-4-6-16-13(8-11)14-9-12(2)10-15(18-14)19-7-3-5-17-19;/h2*3-10H,1-2H3;/q;;+2
InChIKeyOZAUWOYNTNRGQA-UHFFFAOYSA-N
MW559.54 g/mol
LogP5.89
Rot. Bonds4

About cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)

cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine) (PubChem CID 140695184) has the molecular formula C30H28CoN8+2 and a molecular weight of 559.54 g/mol. Its IUPAC name is cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine).

Molecular Properties

Compound Namecobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)
PubChem CID140695184
Molecular FormulaC30H28CoN8+2
Molecular Weight559.54 g/mol
Exact Mass559.18
IUPAC Namecobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)
SMILESCc1ccnc(-c2cc(C)cc(-n3cccn3)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3cccn3)n2)c1.[Co+2]
InChIInChI=1S/2C15H14N4.Co/c2*1-11-4-6-16-13(8-11)14-9-12(2)10-15(18-14)19-7-3-5-17-19;/h2*3-10H,1-2H3;/q;;+2
InChIKeyOZAUWOYNTNRGQA-UHFFFAOYSA-N
XLogP5.89
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)?
The IUPAC name of cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine) (CID 140695184) is cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine).
What is the SMILES notation for cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)?
The canonical SMILES for cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine) is Cc1ccnc(-c2cc(C)cc(-n3cccn3)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3cccn3)n2)c1.[Co+2].
What is the InChIKey of cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)?
The InChIKey is OZAUWOYNTNRGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N4.Co/c2*1-11-4-6-16-13(8-11)14-9-12(2)10-15(18-14)19-7-3-5-17-19;/h2*3-10H,1-2H3;/q;;+2.
What are the key properties of cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine)?
cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine) has a molecular weight of 559.54 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(4-methyl-2-(4-methyl-2-pyridinyl)-6-pyrazol-1-ylpyridine) is sourced from PubChem (CID 140695184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).