3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide

C16H16BrCuN4 — CID 167650233

IUPAC3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
SMILESCc1ccc(Br)c(C)n1.Cc1ccc(C#N)c(C)n1.[C-]#N.[Cu+]
InChIInChI=1S/C8H8N2.C7H8BrN.CN.Cu/c1-6-3-4-8(5-9)7(2)10-6;1-5-3-4-7(8)6(2)9-5;1-2;/h3-4H,1-2H3;3-4H,1-2H3;;/q;;-1;+1
InChIKeyFDPCNFNPISPTAD-UHFFFAOYSA-N
MW407.78 g/mol
LogP4.12
Rot. Bonds

About 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide

3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide (PubChem CID 167650233) has the molecular formula C16H16BrCuN4 and a molecular weight of 407.78 g/mol. Its IUPAC name is 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide.

Molecular Properties

Compound Name3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
PubChem CID167650233
Molecular FormulaC16H16BrCuN4
Molecular Weight407.78 g/mol
Exact Mass405.99
IUPAC Name3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
SMILESCc1ccc(Br)c(C)n1.Cc1ccc(C#N)c(C)n1.[C-]#N.[Cu+]
InChIInChI=1S/C8H8N2.C7H8BrN.CN.Cu/c1-6-3-4-8(5-9)7(2)10-6;1-5-3-4-7(8)6(2)9-5;1-2;/h3-4H,1-2H3;3-4H,1-2H3;;/q;;-1;+1
InChIKeyFDPCNFNPISPTAD-UHFFFAOYSA-N
XLogP4.12
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-methylpyridine-3-carbonitrile
CID 62128553
6-(aminomethyl)-2-methylpyridine-3-carbonitrile
CID 82502522
6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
CID 130560169
2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
CID 106794912
2-bromo-6-methylpyridine-3,5-dicarbonitrile
CID 12535770
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
CID 119085762
2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
CID 139473327
6-(tert-butylamino)-2-methylpyridine-3-carbonitrile
CID 102546520
2-bromo-5-[(3-cyano-6-methyl-2-pyridinyl)amino]benzoic acid
CID 115296132
2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile
CID 114417379
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide?
The IUPAC name of 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide (CID 167650233) is 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide.
What is the SMILES notation for 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide?
The canonical SMILES for 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide is Cc1ccc(Br)c(C)n1.Cc1ccc(C#N)c(C)n1.[C-]#N.[Cu+].
What is the InChIKey of 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide?
The InChIKey is FDPCNFNPISPTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C7H8BrN.CN.Cu/c1-6-3-4-8(5-9)7(2)10-6;1-5-3-4-7(8)6(2)9-5;1-2;/h3-4H,1-2H3;3-4H,1-2H3;;/q;;-1;+1.
What are the key properties of 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide?
3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide has a molecular weight of 407.78 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide is sourced from PubChem (CID 167650233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).