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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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).