2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate

C27H21CoN7O6 — CID 139056461

IUPAC2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate
SMILESCc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(C)n5)n4)n3)n2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2]
InChIInChI=1S/C27H21N5.Co.2NO3/c1-18-8-3-10-20(28-18)22-12-5-14-24(30-22)26-16-7-17-27(32-26)25-15-6-13-23(31-25)21-11-4-9-19(2)29-21;;2*2-1(3)4/h3-17H,1-2H3;;;/q;+2;2*-1
InChIKeyVQSODMGCBHKMNL-UHFFFAOYSA-N
MW598.44 g/mol
LogP5.47
Rot. Bonds4

About 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate

2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate (PubChem CID 139056461) has the molecular formula C27H21CoN7O6 and a molecular weight of 598.44 g/mol. Its IUPAC name is 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate.

Molecular Properties

Compound Name2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate
PubChem CID139056461
Molecular FormulaC27H21CoN7O6
Molecular Weight598.44 g/mol
Exact Mass598.09
IUPAC Name2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate
SMILESCc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(C)n5)n4)n3)n2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2]
InChIInChI=1S/C27H21N5.Co.2NO3/c1-18-8-3-10-20(28-18)22-12-5-14-24(30-22)26-16-7-17-27(32-26)25-15-6-13-23(31-25)21-11-4-9-19(2)29-21;;2*2-1(3)4/h3-17H,1-2H3;;;/q;+2;2*-1
InChIKeyVQSODMGCBHKMNL-UHFFFAOYSA-N
XLogP5.47
TPSA196.85 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500598.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
CID 71593028
Bis(M2-Oxo)-Bis(2-Methyl-2,2'-Bipyridine)-Di-Gold(Iii)
CID 127021008
Gold;bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
CID 137348951
Bis-(2,2'-bipyridine palladium nitrate) dication
CID 122164920
bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate
CID 139058582
Ammine(2,2'-bipyridine-kappa^2^N,N')silver(I) nitrate
CID 139060871
Bis(6,6'-dimethyl-2,2'-bipyridine)copper(I) perchlorate
CID 139067338
Bis(2,2'-bipyridine)nitratocopper(II) nitrate
CID 139067352
Bis(2,2'-bipyridine-kappa^2^N,N')(nitrato-kappa^2^O,O')cobalt(II) iodide tetrahydrate
CID 139070602
Bis(6,6'-dimethyl-2,2'-dipyridyl-kappa^2^N,N')silver(I) tetrafluoridoborate
CID 139072752
bis(2,2'-bipyridine)(nitrato-kappa^2^O,O')cobalt(III) hydroxide nitrate tetrahydrate
CID 139073655
Bis(2,2'-bipyridine-kappa^2^N,N')(nitrato-kappaO)copper(II) perchlorate
CID 139080707

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate?
The IUPAC name of 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate (CID 139056461) is 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate.
What is the SMILES notation for 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate?
The canonical SMILES for 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate is Cc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(C)n5)n4)n3)n2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].
What is the InChIKey of 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate?
The InChIKey is VQSODMGCBHKMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5.Co.2NO3/c1-18-8-3-10-20(28-18)22-12-5-14-24(30-22)26-16-7-17-27(32-26)25-15-6-13-23(31-25)21-11-4-9-19(2)29-21;;2*2-1(3)4/h3-17H,1-2H3;;;/q;+2;2*-1.
What are the key properties of 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate?
2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate has a molecular weight of 598.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate is sourced from PubChem (CID 139056461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).