copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate

C20H16ClCuN5O7 — CID 139080707

IUPACcopper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate
SMILESO=[N+]([O-])[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.ClHO4.Cu.NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;;2-1(3)4/h2*1-8H;(H,2,3,4,5);;/q;;;+2;-1/p-1
InChIKeyKMCTXRAOVWFBLT-UHFFFAOYSA-M
MW537.38 g/mol
LogP-0.71
Rot. Bonds2

About copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate

copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate (PubChem CID 139080707) has the molecular formula C20H16ClCuN5O7 and a molecular weight of 537.38 g/mol. Its IUPAC name is copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate.

Molecular Properties

Compound Namecopper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate
PubChem CID139080707
Molecular FormulaC20H16ClCuN5O7
Molecular Weight537.38 g/mol
Exact Mass536.00
IUPAC Namecopper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate
SMILESO=[N+]([O-])[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.ClHO4.Cu.NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;;2-1(3)4/h2*1-8H;(H,2,3,4,5);;/q;;;+2;-1/p-1
InChIKeyKMCTXRAOVWFBLT-UHFFFAOYSA-M
XLogP-0.71
TPSA210.00 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.38
LogP ≤ 5-0.71
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

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
tris(2,2'-bipyridyl)cobalt(III)
CID 161059
Iron(2+), tris(2,2'-bipyridine-N,N')-, dichloride
CID 203609
cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate
CID 2734543
cis-Bis(2,2'-bipyridyl)dichlororuthenium(II)
CID 6398695
cis-Bis(2,2'-bipyridine)dichlororuthenium(II) hydrate
CID 16211844
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
dichlorobis(2,2'-bipyridyl)chromium(III)
CID 147008
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Ruthenium(2+), dichlorotetrakis(2-pyridyl)-, dihydrate (Z)-
CID 3054377

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate?
The IUPAC name of copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate (CID 139080707) is copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate.
What is the SMILES notation for copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate?
The canonical SMILES for copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate is O=[N+]([O-])[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate?
The InChIKey is KMCTXRAOVWFBLT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.ClHO4.Cu.NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;;2-1(3)4/h2*1-8H;(H,2,3,4,5);;/q;;;+2;-1/p-1.
What are the key properties of copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate?
copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate has a molecular weight of 537.38 g/mol, XLogP of -0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-pyridin-2-ylpyridine);nitrate;perchlorate is sourced from PubChem (CID 139080707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).