2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride

C15H17Cl2CoN5 — CID 70012596

IUPAC2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride
SMILESCC1=NC(c2cccc(C3=NC(C)C(C)=N3)n2)=NC1C.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C15H17N5.2ClH.Co/c1-8-9(2)17-14(16-8)12-6-5-7-13(20-12)15-18-10(3)11(4)19-15;;;/h5-8,10H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyGJTBVCKNTLIWBQ-UHFFFAOYSA-L
MW397.18 g/mol
LogP-3.69
Rot. Bonds2

About 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride

2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride (PubChem CID 70012596) has the molecular formula C15H17Cl2CoN5 and a molecular weight of 397.18 g/mol. Its IUPAC name is 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride.

Molecular Properties

Compound Name2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride
PubChem CID70012596
Molecular FormulaC15H17Cl2CoN5
Molecular Weight397.18 g/mol
Exact Mass396.02
IUPAC Name2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride
SMILESCC1=NC(c2cccc(C3=NC(C)C(C)=N3)n2)=NC1C.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C15H17N5.2ClH.Co/c1-8-9(2)17-14(16-8)12-6-5-7-13(20-12)15-18-10(3)11(4)19-15;;;/h5-8,10H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyGJTBVCKNTLIWBQ-UHFFFAOYSA-L
XLogP-3.69
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 5-3.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride?
The IUPAC name of 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride (CID 70012596) is 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride.
What is the SMILES notation for 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride?
The canonical SMILES for 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride is CC1=NC(c2cccc(C3=NC(C)C(C)=N3)n2)=NC1C.[Cl-].[Cl-].[Co+2].
What is the InChIKey of 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride?
The InChIKey is GJTBVCKNTLIWBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H17N5.2ClH.Co/c1-8-9(2)17-14(16-8)12-6-5-7-13(20-12)15-18-10(3)11(4)19-15;;;/h5-8,10H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride?
2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride has a molecular weight of 397.18 g/mol, XLogP of -3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4,5-dimethyl-4H-imidazol-2-yl)pyridine;cobalt(2+);dichloride is sourced from PubChem (CID 70012596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).