copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide

C16H16Br2CuN6 — CID 139067251

IUPACcopper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide
SMILES[Br-].[Br-].[Cu+2].c1c[nH]cn1.c1c[nH]cn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C3H4N2.2BrH.Cu/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-5-3-4-1;;;/h1-8H;2*1-3H,(H,4,5);2*1H;/q;;;;;+2/p-2
InChIKeyNLPDEOMRNMAEDJ-UHFFFAOYSA-L
MW515.70 g/mol
LogP-3.03
Rot. Bonds1

About copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide

copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide (PubChem CID 139067251) has the molecular formula C16H16Br2CuN6 and a molecular weight of 515.70 g/mol. Its IUPAC name is copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide.

Molecular Properties

Compound Namecopper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide
PubChem CID139067251
Molecular FormulaC16H16Br2CuN6
Molecular Weight515.70 g/mol
Exact Mass512.91
IUPAC Namecopper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide
SMILES[Br-].[Br-].[Cu+2].c1c[nH]cn1.c1c[nH]cn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C3H4N2.2BrH.Cu/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-5-3-4-1;;;/h1-8H;2*1-3H,(H,4,5);2*1H;/q;;;;;+2/p-2
InChIKeyNLPDEOMRNMAEDJ-UHFFFAOYSA-L
XLogP-3.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.70
LogP ≤ 5-3.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
2-(pyridin-2-yl)-3H-imidazo[4,5-b]pyridine
CID 6612277
2-((S)-2-Methyl-4-pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 9815072
2-((4-(pyridin-2-yl)piperidin-1-yl)methyl)-1H-benzo[d]imidazole
CID 9835713
2-((R)-2-Methyl-4-pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 9836209
2-Methyl-4-piperidin-1-yl-6-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10830247
8-(pyridin-2-yl)-7H-purine
CID 11680001
2-(3H-benzimidazol-5-yl)-6-(6-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 11743266
(3,3-Di-pyridin-2-yl-propyl)-[4-(1H-imidazol-4-yl)-butyl]-amine
CID 23562984
N-(1H-Benzimidazol-2-ylmethyl)-N-[1-(pyridin-2-yl)ethyl]butane-1,4-diamine
CID 25177852

Frequently Asked Questions

What is the IUPAC name of copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide?
The IUPAC name of copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide (CID 139067251) is copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide.
What is the SMILES notation for copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide?
The canonical SMILES for copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide is [Br-].[Br-].[Cu+2].c1c[nH]cn1.c1c[nH]cn1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide?
The InChIKey is NLPDEOMRNMAEDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C3H4N2.2BrH.Cu/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-5-3-4-1;;;/h1-8H;2*1-3H,(H,4,5);2*1H;/q;;;;;+2/p-2.
What are the key properties of copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide?
copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide has a molecular weight of 515.70 g/mol, XLogP of -3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1H-imidazole);2-pyridin-2-ylpyridine;dibromide is sourced from PubChem (CID 139067251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).