bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate

C24H20Br4ClCuN4O4 — CID 139127501

IUPACbis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate
SMILESBrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C12H10Br2N2.ClHO4.Cu/c2*13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12;2-1(3,4)5;/h2*1-6H,7-8H2;(H,2,3,4,5);/q;;;+1/p-1
InChIKeyJDFIBUFQQVMUBZ-UHFFFAOYSA-M
MW847.06 g/mol
LogP3.11
Rot. Bonds6

About bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate

bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate (PubChem CID 139127501) has the molecular formula C24H20Br4ClCuN4O4 and a molecular weight of 847.06 g/mol. Its IUPAC name is bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate.

Molecular Properties

Compound Namebis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate
PubChem CID139127501
Molecular FormulaC24H20Br4ClCuN4O4
Molecular Weight847.06 g/mol
Exact Mass841.72
IUPAC Namebis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate
SMILESBrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C12H10Br2N2.ClHO4.Cu/c2*13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12;2-1(3,4)5;/h2*1-6H,7-8H2;(H,2,3,4,5);/q;;;+1/p-1
InChIKeyJDFIBUFQQVMUBZ-UHFFFAOYSA-M
XLogP3.11
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500847.06
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Copper(1+);bis(2-(trifluoromethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine);hexafluorophosphate
CID 139200509
Bis(gold(1+));bis(2-methyl-6-(6-methyl-2-pyridinyl)pyridine);dihydrate
CID 71593028
bis(2,2'-bipyridine-kappa^2^N,N')platinum(II) bis(perchlorate)
CID 139068505
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
Copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate
CID 139053507
Dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate
CID 139053876
bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) perchlorate
CID 139056347
bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) tetrafluoroborate
CID 139056348
2,6-Bis[6-(6-methyl-2-pyridinyl)-2-pyridinyl]pyridine;cobalt(2+);dinitrate
CID 139056461
bis(2,2'-bipyridine)(dichromate)copper(II)
CID 139058526
bis(2,2'-bipyridine-kappa^2^N,N')(dicyanamido-kappaN)copper(II) perchlorate
CID 139058674

Frequently Asked Questions

What is the IUPAC name of bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate?
The IUPAC name of bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate (CID 139127501) is bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate.
What is the SMILES notation for bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate?
The canonical SMILES for bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate is BrCc1cccc(-c2cccc(CBr)n2)n1.BrCc1cccc(-c2cccc(CBr)n2)n1.[Cu+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate?
The InChIKey is JDFIBUFQQVMUBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H10Br2N2.ClHO4.Cu/c2*13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12;2-1(3,4)5;/h2*1-6H,7-8H2;(H,2,3,4,5);/q;;;+1/p-1.
What are the key properties of bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate?
bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate has a molecular weight of 847.06 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(bromomethyl)-6-[6-(bromomethyl)-2-pyridinyl]pyridine);copper(1+);perchlorate is sourced from PubChem (CID 139127501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).