sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide

C82H94BBr4CuI8N12NaO2V — CID 157264488

IUPACsodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide
SMILESC.C.CI.CI.CNCCNC.Cc1cccc(Br)n1.Cc1cccnc1-c1cccc(Br)c1.Cc1cccnc1-c1cccc(Br)c1.Cc1cccnc1-c1cccc(Cc2cccc(-c3ncccc3C)c2)c1.Cc1cccnc1-c1cccc(N)c1.ICI.I[V](I)I.OB(O)c1cccc(Br)c1.[Cu]I.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C25H22N2.2C12H10BrN.C12H12N2.C6H6BBrO2.C6H6BrN.C4H12N2.CH2I2.2CH3I.2CH4.Cu.4HI.N3.Na.V/c1-18-7-5-13-26-24(18)22-11-3-9-20(16-22)15-21-10-4-12-23(17-21)25-19(2)8-6-14-27-25;3*1-9-4-3-7-14-12(9)10-5-2-6-11(13)8-10;8-6-3-1-2-5(4-6)7(9)10;1-5-3-2-4-6(7)8-5;1-5-3-4-6-2;2-1-3;2*1-2;;;;;;;;1-3-2;;/h3-14,16-17H,15H2,1-2H3;2*2-8H,1H3;2-8H,13H2,1H3;1-4,9-10H;2-4H,1H3;5-6H,3-4H2,1-2H3;1H2;2*1H3;2*1H4;;4*1H;;;/q;;;;;;;;;;;;+1;;;;;-1;+1;+3/p-4
InChIKeyZWGBAQWVIOYTNY-UHFFFAOYSA-J
MW2762.88 g/mol
LogP24.60
Rot. Bonds11

About sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide

sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide (PubChem CID 157264488) has the molecular formula C82H94BBr4CuI8N12NaO2V and a molecular weight of 2762.88 g/mol. Its IUPAC name is sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide.

Molecular Properties

Compound Namesodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide
PubChem CID157264488
Molecular FormulaC82H94BBr4CuI8N12NaO2V
Molecular Weight2762.88 g/mol
Exact Mass2757.54
IUPAC Namesodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide
SMILESC.C.CI.CI.CNCCNC.Cc1cccc(Br)n1.Cc1cccnc1-c1cccc(Br)c1.Cc1cccnc1-c1cccc(Br)c1.Cc1cccnc1-c1cccc(Cc2cccc(-c3ncccc3C)c2)c1.Cc1cccnc1-c1cccc(N)c1.ICI.I[V](I)I.OB(O)c1cccc(Br)c1.[Cu]I.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C25H22N2.2C12H10BrN.C12H12N2.C6H6BBrO2.C6H6BrN.C4H12N2.CH2I2.2CH3I.2CH4.Cu.4HI.N3.Na.V/c1-18-7-5-13-26-24(18)22-11-3-9-20(16-22)15-21-10-4-12-23(17-21)25-19(2)8-6-14-27-25;3*1-9-4-3-7-14-12(9)10-5-2-6-11(13)8-10;8-6-3-1-2-5(4-6)7(9)10;1-5-3-2-4-6(7)8-5;1-5-3-4-6-2;2-1-3;2*1-2;;;;;;;;1-3-2;;/h3-14,16-17H,15H2,1-2H3;2*2-8H,1H3;2-8H,13H2,1H3;1-4,9-10H;2-4H,1H3;5-6H,3-4H2,1-2H3;1H2;2*1H3;2*1H4;;4*1H;;;/q;;;;;;;;;;;;+1;;;;;-1;+1;+3/p-4
InChIKeyZWGBAQWVIOYTNY-UHFFFAOYSA-J
XLogP24.60
TPSA226.58 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002762.88
LogP ≤ 524.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide with MolForge

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Related Compounds

aniline;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;2-(3-bromophenyl)-3-methylpyridine;iodomethane;3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]-N-phenylaniline;1,1,1-triiodoethane;triiodovanadium
CID 157229002
bromobenzene;iodoform;iodomethane;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;vanadium;triiodide
CID 159100057
aniline;2-(3-bromophenyl)pyridine;iodoethane;methane;2-phenylpyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;1,1,1-triiodoethane;vanadium
CID 159426213
bromobenzene;diiodovanadium;N,3-diphenyl-5-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline;ethane;iodoform;2-[3-[(3-phenyl-5-pyridin-2-ylphenyl)methyl]phenyl]pyridine
CID 160067970
2-(3-Bromophenyl)pyridine;molecular iodine;3-pyridin-2-ylaniline;2-[3-[(3-pyridin-2-ylphenyl)methyl]phenyl]pyridine;triiodide;hydroiodide
CID 160615721
3-[3-[3,5-Bis[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-bromophenyl)phenyl]phenyl]pyridine;[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]boronic acid
CID 161269242
2-Bromo-3,4-dimethylpyridine;2-bromo-4,5-dimethylpyridine;(3-bromophenyl)boronic acid;2-(3-bromophenyl)-3,4-dimethylpyridine;2-(3-bromophenyl)-4,5-dimethylpyridine
CID 161896046

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide?
The IUPAC name of sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide (CID 157264488) is sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide.
What is the SMILES notation for sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide?
The canonical SMILES for sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide is C.C.CI.CI.CNCCNC.Cc1cccc(Br)n1.Cc1cccnc1-c1cccc(Br)c1.Cc1cccnc1-c1cccc(Br)c1.Cc1cccnc1-c1cccc(Cc2cccc(-c3ncccc3C)c2)c1.Cc1cccnc1-c1cccc(N)c1.ICI.I[V](I)I.OB(O)c1cccc(Br)c1.[Cu]I.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide?
The InChIKey is ZWGBAQWVIOYTNY-UHFFFAOYSA-J. The full InChI is InChI=1S/C25H22N2.2C12H10BrN.C12H12N2.C6H6BBrO2.C6H6BrN.C4H12N2.CH2I2.2CH3I.2CH4.Cu.4HI.N3.Na.V/c1-18-7-5-13-26-24(18)22-11-3-9-20(16-22)15-21-10-4-12-23(17-21)25-19(2)8-6-14-27-25;3*1-9-4-3-7-14-12(9)10-5-2-6-11(13)8-10;8-6-3-1-2-5(4-6)7(9)10;1-5-3-2-4-6(7)8-5;1-5-3-4-6-2;2-1-3;2*1-2;;;;;;;;1-3-2;;/h3-14,16-17H,15H2,1-2H3;2*2-8H,1H3;2-8H,13H2,1H3;1-4,9-10H;2-4H,1H3;5-6H,3-4H2,1-2H3;1H2;2*1H3;2*1H4;;4*1H;;;/q;;;;;;;;;;;;+1;;;;;-1;+1;+3/p-4.
What are the key properties of sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide?
sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide has a molecular weight of 2762.88 g/mol, XLogP of 24.60, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromo-6-methylpyridine;(3-bromophenyl)boronic acid;bis(2-(3-bromophenyl)-3-methylpyridine);diiodomethane;N,N'-dimethylethane-1,2-diamine;iodocopper;iodomethane;methane;3-methyl-2-[3-[[3-(3-methyl-2-pyridinyl)phenyl]methyl]phenyl]pyridine;3-(3-methyl-2-pyridinyl)aniline;triiodovanadium;azide is sourced from PubChem (CID 157264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).