cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)

C32H32CoN8+3 — CID 140695206

IUPACcobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)
SMILESCc1ccnc(-c2cc(C)cc(-n3cc(C)cn3)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3cc(C)cn3)n2)c1.[Co+3]
InChIInChI=1S/2C16H16N4.Co/c2*1-11-4-5-17-14(6-11)15-7-12(2)8-16(19-15)20-10-13(3)9-18-20;/h2*4-10H,1-3H3;/q;;+3
InChIKeyHCAPHITXVPJLMY-UHFFFAOYSA-N
MW587.60 g/mol
LogP6.51
Rot. Bonds4

About cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)

cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine) (PubChem CID 140695206) has the molecular formula C32H32CoN8+3 and a molecular weight of 587.60 g/mol. Its IUPAC name is cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine).

Molecular Properties

Compound Namecobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)
PubChem CID140695206
Molecular FormulaC32H32CoN8+3
Molecular Weight587.60 g/mol
Exact Mass587.21
IUPAC Namecobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)
SMILESCc1ccnc(-c2cc(C)cc(-n3cc(C)cn3)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3cc(C)cn3)n2)c1.[Co+3]
InChIInChI=1S/2C16H16N4.Co/c2*1-11-4-5-17-14(6-11)15-7-12(2)8-16(19-15)20-10-13(3)9-18-20;/h2*4-10H,1-3H3;/q;;+3
InChIKeyHCAPHITXVPJLMY-UHFFFAOYSA-N
XLogP6.51
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.60
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

US10023570, Example 557
CID 124199691
US10023570, Example 654
CID 124199750
US10023570, Example 473
CID 124199787
US10023570, Example 588
CID 124199840
US10023570, Example 665
CID 124199911
US10023570, Example 483
CID 124200112
US10023570, Example 653
CID 124200172
US10023570, Example 471
CID 124200229
US10023570, Example 743
CID 124200505
US10023570, Example 435
CID 126740013
US10023570, Example 440
CID 126740122
US10023570, Example 679
CID 126740171

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)?
The IUPAC name of cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine) (CID 140695206) is cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine).
What is the SMILES notation for cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)?
The canonical SMILES for cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine) is Cc1ccnc(-c2cc(C)cc(-n3cc(C)cn3)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3cc(C)cn3)n2)c1.[Co+3].
What is the InChIKey of cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)?
The InChIKey is HCAPHITXVPJLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N4.Co/c2*1-11-4-5-17-14(6-11)15-7-12(2)8-16(19-15)20-10-13(3)9-18-20;/h2*4-10H,1-3H3;/q;;+3.
What are the key properties of cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine)?
cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine) has a molecular weight of 587.60 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(4-methyl-2-(4-methylpyrazol-1-yl)-6-(4-methyl-2-pyridinyl)pyridine) is sourced from PubChem (CID 140695206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).