1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt

C25H27Cl2CoN3 — CID 140748189

IUPAC1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt
SMILESC/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2C(C)(C)C)n1.Cl[Co]Cl
InChIInChI=1S/C25H27N3.2ClH.Co/c1-18(26-20-12-7-6-8-13-20)22-16-11-17-23(28-22)19(2)27-24-15-10-9-14-21(24)25(3,4)5;;;/h6-17H,1-5H3;2*1H;/q;;;+2/p-2/b26-18+,27-19+;;;
InChIKeyPRFISCPIFAMQLE-MBYIOEMKSA-L
MW499.35 g/mol
LogP8.04
Rot. Bonds4

About 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt

1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt (PubChem CID 140748189) has the molecular formula C25H27Cl2CoN3 and a molecular weight of 499.35 g/mol. Its IUPAC name is 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt.

Molecular Properties

Compound Name1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt
PubChem CID140748189
Molecular FormulaC25H27Cl2CoN3
Molecular Weight499.35 g/mol
Exact Mass498.09
IUPAC Name1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt
SMILESC/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2C(C)(C)C)n1.Cl[Co]Cl
InChIInChI=1S/C25H27N3.2ClH.Co/c1-18(26-20-12-7-6-8-13-20)22-16-11-17-23(28-22)19(2)27-24-15-10-9-14-21(24)25(3,4)5;;;/h6-17H,1-5H3;2*1H;/q;;;+2/p-2/b26-18+,27-19+;;;
InChIKeyPRFISCPIFAMQLE-MBYIOEMKSA-L
XLogP8.04
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.35
LogP ≤ 58.04
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-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 23569042
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
iron;1-[6-[C-methyl-N-[2-(trifluoromethyl)phenyl]carbonimidoyl]-2-pyridinyl]-N-[2-(trifluoromethyl)phenyl]ethanimine;hydrochloride
CID 89388306
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
CID 58927833
acetonitrile;dichlororuthenium;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine
CID 139238297
N-(2-tert-butylphenyl)-1-[4-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-1,3,5-triazin-2-yl]ethanimine;dichloroiron
CID 140654375
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
1-[4-chloro-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;vanadium;trichloride
CID 173243751
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt?
The IUPAC name of 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt (CID 140748189) is 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt.
What is the SMILES notation for 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt?
The canonical SMILES for 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt is C/C(=N\c1ccccc1)c1cccc(/C(C)=N/c2ccccc2C(C)(C)C)n1.Cl[Co]Cl.
What is the InChIKey of 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt?
The InChIKey is PRFISCPIFAMQLE-MBYIOEMKSA-L. The full InChI is InChI=1S/C25H27N3.2ClH.Co/c1-18(26-20-12-7-6-8-13-20)22-16-11-17-23(28-22)19(2)27-24-15-10-9-14-21(24)25(3,4)5;;;/h6-17H,1-5H3;2*1H;/q;;;+2/p-2/b26-18+,27-19+;;;.
What are the key properties of 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt?
1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt has a molecular weight of 499.35 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt is sourced from PubChem (CID 140748189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).