dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C21H17Br2F2N3Ni — CID 140582338

IUPACdibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESBr[Ni]Br.C/C(=N\c1ccc(F)cc1)c1cccc(/C(C)=N/c2ccc(F)cc2)n1
InChIInChI=1S/C21H17F2N3.2BrH.Ni/c1-14(24-18-10-6-16(22)7-11-18)20-4-3-5-21(26-20)15(2)25-19-12-8-17(23)9-13-19;;;/h3-13H,1-2H3;2*1H;/q;;;+2/p-2/b24-14+,25-15+;;;
InChIKeyMAOHJLBBPHYXLM-YMCUJNOTSA-L
MW567.89 g/mol
LogP7.33
Rot. Bonds4

About dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 140582338) has the molecular formula C21H17Br2F2N3Ni and a molecular weight of 567.89 g/mol. Its IUPAC name is dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound Namedibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
PubChem CID140582338
Molecular FormulaC21H17Br2F2N3Ni
Molecular Weight567.89 g/mol
Exact Mass564.91
IUPAC Namedibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESBr[Ni]Br.C/C(=N\c1ccc(F)cc1)c1cccc(/C(C)=N/c2ccc(F)cc2)n1
InChIInChI=1S/C21H17F2N3.2BrH.Ni/c1-14(24-18-10-6-16(22)7-11-18)20-4-3-5-21(26-20)15(2)25-19-12-8-17(23)9-13-19;;;/h3-13H,1-2H3;2*1H;/q;;;+2/p-2/b24-14+,25-15+;;;
InChIKeyMAOHJLBBPHYXLM-YMCUJNOTSA-L
XLogP7.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.89
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-[6-[N-(2,5-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]-1-[6-[N-(5-fluoro-2-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 126651824
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 158021685
N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride
CID 173074666
bis(dichloroiron);N-(4-methylphenyl)-1-[6-[C-methyl-N-[2,3,5,6-tetramethyl-4-[1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]carbonimidoyl]-2-pyridinyl]ethanimine
CID 59979082
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173
acetonitrile;dichlororuthenium;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine
CID 139238297
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
N-(4-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 23569042
1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt
CID 140748189

Frequently Asked Questions

What is the IUPAC name of dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The IUPAC name of dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 140582338) is dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The canonical SMILES for dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is Br[Ni]Br.C/C(=N\c1ccc(F)cc1)c1cccc(/C(C)=N/c2ccc(F)cc2)n1.
What is the InChIKey of dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The InChIKey is MAOHJLBBPHYXLM-YMCUJNOTSA-L. The full InChI is InChI=1S/C21H17F2N3.2BrH.Ni/c1-14(24-18-10-6-16(22)7-11-18)20-4-3-5-21(26-20)15(2)25-19-12-8-17(23)9-13-19;;;/h3-13H,1-2H3;2*1H;/q;;;+2/p-2/b24-14+,25-15+;;;.
What are the key properties of dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 567.89 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibromonickel;N-(4-fluorophenyl)-1-[6-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 140582338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).