cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide

C25H29Br2CoN3 — CID 175255082

IUPACcobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide
SMILESBr.Br.CCc1ccccc1/N=C(\C)c1cccc(/C(C)=N/c2ccccc2CC)n1.[Co]
InChIInChI=1S/C25H27N3.2BrH.Co/c1-5-20-12-7-9-14-24(20)26-18(3)22-16-11-17-23(28-22)19(4)27-25-15-10-8-13-21(25)6-2;;;/h7-17H,5-6H2,1-4H3;2*1H;/b26-18+,27-19+;;;
InChIKeyQBITZRJICAHDIO-MBYIOEMKSA-N
MW590.27 g/mol
LogP7.64
Rot. Bonds6

About cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide

cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide (PubChem CID 175255082) has the molecular formula C25H29Br2CoN3 and a molecular weight of 590.27 g/mol. Its IUPAC name is cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide.

Molecular Properties

Compound Namecobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide
PubChem CID175255082
Molecular FormulaC25H29Br2CoN3
Molecular Weight590.27 g/mol
Exact Mass588.01
IUPAC Namecobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide
SMILESBr.Br.CCc1ccccc1/N=C(\C)c1cccc(/C(C)=N/c2ccccc2CC)n1.[Co]
InChIInChI=1S/C25H27N3.2BrH.Co/c1-5-20-12-7-9-14-24(20)26-18(3)22-16-11-17-23(28-22)19(4)27-25-15-10-8-13-21(25)6-2;;;/h7-17H,5-6H2,1-4H3;2*1H;/b26-18+,27-19+;;;
InChIKeyQBITZRJICAHDIO-MBYIOEMKSA-N
XLogP7.64
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.27
LogP ≤ 57.64
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

cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
CID 173242790
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(3+);trichloride
CID 173243949
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243023
1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
CID 58927833
N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 87860468
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244594
N-(2-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;carbanide;iron(2+)
CID 59100369
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173
N-(2-chloro-6-ethylphenyl)-1-[6-[N-(2-chloro-6-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);bis(triethyl(methanidyl)silane)
CID 162451117
iron;1-[6-[C-methyl-N-[2-(trifluoromethyl)phenyl]carbonimidoyl]-2-pyridinyl]-N-[2-(trifluoromethyl)phenyl]ethanimine;hydrochloride
CID 89388306

Frequently Asked Questions

What is the IUPAC name of cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide?
The IUPAC name of cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide (CID 175255082) is cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide.
What is the SMILES notation for cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide?
The canonical SMILES for cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide is Br.Br.CCc1ccccc1/N=C(\C)c1cccc(/C(C)=N/c2ccccc2CC)n1.[Co].
What is the InChIKey of cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide?
The InChIKey is QBITZRJICAHDIO-MBYIOEMKSA-N. The full InChI is InChI=1S/C25H27N3.2BrH.Co/c1-5-20-12-7-9-14-24(20)26-18(3)22-16-11-17-23(28-22)19(4)27-25-15-10-8-13-21(25)6-2;;;/h7-17H,5-6H2,1-4H3;2*1H;/b26-18+,27-19+;;;.
What are the key properties of cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide?
cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide has a molecular weight of 590.27 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide is sourced from PubChem (CID 175255082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).