cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)

C34H36CoN8+3 — CID 140695192

IUPACcobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)
SMILESCc1ccnc(-c2cc(C)cc(-n3nc(C)cc3C)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3nc(C)cc3C)n2)c1.[Co+3]
InChIInChI=1S/2C17H18N4.Co/c2*1-11-5-6-18-15(7-11)16-8-12(2)9-17(19-16)21-14(4)10-13(3)20-21;/h2*5-10H,1-4H3;/q;;+3
InChIKeyFTGFNTALDHNIJI-UHFFFAOYSA-N
MW615.65 g/mol
LogP7.12
Rot. Bonds4

About cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)

cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine) (PubChem CID 140695192) has the molecular formula C34H36CoN8+3 and a molecular weight of 615.65 g/mol. Its IUPAC name is cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine).

Molecular Properties

Compound Namecobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)
PubChem CID140695192
Molecular FormulaC34H36CoN8+3
Molecular Weight615.65 g/mol
Exact Mass615.24
IUPAC Namecobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)
SMILESCc1ccnc(-c2cc(C)cc(-n3nc(C)cc3C)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3nc(C)cc3C)n2)c1.[Co+3]
InChIInChI=1S/2C17H18N4.Co/c2*1-11-5-6-18-15(7-11)16-8-12(2)9-17(19-16)21-14(4)10-13(3)20-21;/h2*5-10H,1-4H3;/q;;+3
InChIKeyFTGFNTALDHNIJI-UHFFFAOYSA-N
XLogP7.12
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.65
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)?
The IUPAC name of cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine) (CID 140695192) is cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine).
What is the SMILES notation for cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)?
The canonical SMILES for cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine) is Cc1ccnc(-c2cc(C)cc(-n3nc(C)cc3C)n2)c1.Cc1ccnc(-c2cc(C)cc(-n3nc(C)cc3C)n2)c1.[Co+3].
What is the InChIKey of cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)?
The InChIKey is FTGFNTALDHNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N4.Co/c2*1-11-5-6-18-15(7-11)16-8-12(2)9-17(19-16)21-14(4)10-13(3)20-21;/h2*5-10H,1-4H3;/q;;+3.
What are the key properties of cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine)?
cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine) has a molecular weight of 615.65 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-(4-methyl-2-pyridinyl)pyridine) is sourced from PubChem (CID 140695192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).