2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper

C51H48Br2CuIN14O6 — CID 158581283

IUPAC2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper
SMILESCCOC(=O)c1cnc2ccc(-n3ccnc3)cn12.CCOC(=O)c1cnc2ccc(-n3ccnc3-c3cccc(C)n3)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.Cc1cccc(Br)n1.[Cu]I.c1c[nH]cn1
InChIInChI=1S/C19H17N5O2.C13H12N4O2.C10H9BrN2O2.C6H6BrN.C3H4N2.Cu.HI/c1-3-26-19(25)16-11-21-17-8-7-14(12-24(16)17)23-10-9-20-18(23)15-6-4-5-13(2)22-15;1-2-19-13(18)11-7-15-12-4-3-10(8-17(11)12)16-6-5-14-9-16;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;1-5-3-2-4-6(7)8-5;1-2-5-3-4-1;;/h4-12H,3H2,1-2H3;3-9H,2H2,1H3;3-6H,2H2,1H3;2-4H,1H3;1-3H,(H,4,5);;1H/q;;;;;+1;/p-1
InChIKeyHTGXYIXYVNYDLF-UHFFFAOYSA-M
MW1303.29 g/mol
LogP10.48
Rot. Bonds9

About 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper

2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper (PubChem CID 158581283) has the molecular formula C51H48Br2CuIN14O6 and a molecular weight of 1303.29 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper.

Molecular Properties

Compound Name2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper
PubChem CID158581283
Molecular FormulaC51H48Br2CuIN14O6
Molecular Weight1303.29 g/mol
Exact Mass1300.06
IUPAC Name2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper
SMILESCCOC(=O)c1cnc2ccc(-n3ccnc3)cn12.CCOC(=O)c1cnc2ccc(-n3ccnc3-c3cccc(C)n3)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.Cc1cccc(Br)n1.[Cu]I.c1c[nH]cn1
InChIInChI=1S/C19H17N5O2.C13H12N4O2.C10H9BrN2O2.C6H6BrN.C3H4N2.Cu.HI/c1-3-26-19(25)16-11-21-17-8-7-14(12-24(16)17)23-10-9-20-18(23)15-6-4-5-13(2)22-15;1-2-19-13(18)11-7-15-12-4-3-10(8-17(11)12)16-6-5-14-9-16;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;1-5-3-2-4-6(7)8-5;1-2-5-3-4-1;;/h4-12H,3H2,1-2H3;3-9H,2H2,1H3;3-6H,2H2,1H3;2-4H,1H3;1-3H,(H,4,5);;1H/q;;;;;+1;/p-1
InChIKeyHTGXYIXYVNYDLF-UHFFFAOYSA-M
XLogP10.48
TPSA220.90 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms75
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.29
LogP ≤ 510.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper?
The IUPAC name of 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper (CID 158581283) is 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper.
What is the SMILES notation for 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper?
The canonical SMILES for 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper is CCOC(=O)c1cnc2ccc(-n3ccnc3)cn12.CCOC(=O)c1cnc2ccc(-n3ccnc3-c3cccc(C)n3)cn12.CCOC(=O)c1cnc2ccc(Br)cn12.Cc1cccc(Br)n1.[Cu]I.c1c[nH]cn1.
What is the InChIKey of 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper?
The InChIKey is HTGXYIXYVNYDLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17N5O2.C13H12N4O2.C10H9BrN2O2.C6H6BrN.C3H4N2.Cu.HI/c1-3-26-19(25)16-11-21-17-8-7-14(12-24(16)17)23-10-9-20-18(23)15-6-4-5-13(2)22-15;1-2-19-13(18)11-7-15-12-4-3-10(8-17(11)12)16-6-5-14-9-16;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;1-5-3-2-4-6(7)8-5;1-2-5-3-4-1;;/h4-12H,3H2,1-2H3;3-9H,2H2,1H3;3-6H,2H2,1H3;2-4H,1H3;1-3H,(H,4,5);;1H/q;;;;;+1;/p-1.
What are the key properties of 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper?
2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper has a molecular weight of 1303.29 g/mol, XLogP of 10.48, 9 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper is sourced from PubChem (CID 158581283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).