copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate

C21H20CuN6O7 — CID 139058582

IUPACcopper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate
SMILESCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CH4O.Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;2*2-1(3)4/h2*1-8H;2H,1H3;;;/q;;;+2;2*-1
InChIKeyNSKADVUGDYSGIU-UHFFFAOYSA-N
MW531.97 g/mol
LogP3.41
Rot. Bonds2

About copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate

copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate (PubChem CID 139058582) has the molecular formula C21H20CuN6O7 and a molecular weight of 531.97 g/mol. Its IUPAC name is copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate.

Molecular Properties

Compound Namecopper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate
PubChem CID139058582
Molecular FormulaC21H20CuN6O7
Molecular Weight531.97 g/mol
Exact Mass531.07
IUPAC Namecopper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate
SMILESCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CH4O.Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;2*2-1(3)4/h2*1-8H;2H,1H3;;;/q;;;+2;2*-1
InChIKeyNSKADVUGDYSGIU-UHFFFAOYSA-N
XLogP3.41
TPSA204.19 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.97
LogP ≤ 53.41
H-Bond Donors ≤ 51
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

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)
CID 139055461
Bis(2,2'-bipyridine-kappa^2^N,N')copper(I) trifluoromethanesulfonate
CID 139069240
((2,2'-bipyridine)silver(i)(Trifluoroacetate))
CID 139160984
Copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433
Cobalt(2+);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 168302928

Frequently Asked Questions

What is the IUPAC name of copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate?
The IUPAC name of copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate (CID 139058582) is copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate.
What is the SMILES notation for copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate?
The canonical SMILES for copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate is CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate?
The InChIKey is NSKADVUGDYSGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.CH4O.Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;;2*2-1(3)4/h2*1-8H;2H,1H3;;;/q;;;+2;2*-1.
What are the key properties of copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate?
copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate has a molecular weight of 531.97 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methanol;bis(2-pyridin-2-ylpyridine);dinitrate is sourced from PubChem (CID 139058582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).