N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride

C21H15Cl4F4Fe2N3 — CID 173074666

IUPACN-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride
SMILESC/C(=N\c1ccc(F)cc1F)c1cccc(/C(C)=N/c2ccc(F)cc2F)n1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2]
InChIInChI=1S/C21H15F4N3.4ClH.2Fe/c1-12(26-20-8-6-14(22)10-16(20)24)18-4-3-5-19(28-18)13(2)27-21-9-7-15(23)11-17(21)25;;;;;;/h3-11H,1-2H3;4*1H;;/q;;;;;2*+2/p-4/b26-12+,27-13+;;;;;;
InChIKeyGNMSPARGGPMSPL-BZAUHYMFSA-J
MW638.87 g/mol
LogP-6.07
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride

N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride (PubChem CID 173074666) has the molecular formula C21H15Cl4F4Fe2N3 and a molecular weight of 638.87 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride
PubChem CID173074666
Molecular FormulaC21H15Cl4F4Fe2N3
Molecular Weight638.87 g/mol
Exact Mass636.87
IUPAC NameN-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride
SMILESC/C(=N\c1ccc(F)cc1F)c1cccc(/C(C)=N/c2ccc(F)cc2F)n1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2]
InChIInChI=1S/C21H15F4N3.4ClH.2Fe/c1-12(26-20-8-6-14(22)10-16(20)24)18-4-3-5-19(28-18)13(2)27-21-9-7-15(23)11-17(21)25;;;;;;/h3-11H,1-2H3;4*1H;;/q;;;;;2*+2/p-4/b26-12+,27-13+;;;;;;
InChIKeyGNMSPARGGPMSPL-BZAUHYMFSA-J
XLogP-6.07
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.87
LogP ≤ 5-6.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride?
The IUPAC name of N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride (CID 173074666) is N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride is C/C(=N\c1ccc(F)cc1F)c1cccc(/C(C)=N/c2ccc(F)cc2F)n1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2].
What is the InChIKey of N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride?
The InChIKey is GNMSPARGGPMSPL-BZAUHYMFSA-J. The full InChI is InChI=1S/C21H15F4N3.4ClH.2Fe/c1-12(26-20-8-6-14(22)10-16(20)24)18-4-3-5-19(28-18)13(2)27-21-9-7-15(23)11-17(21)25;;;;;;/h3-11H,1-2H3;4*1H;;/q;;;;;2*+2/p-4/b26-12+,27-13+;;;;;;.
What are the key properties of N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride?
N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride has a molecular weight of 638.87 g/mol, XLogP of -6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[6-[N-(2,4-difluorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;bis(iron(2+));tetrachloride is sourced from PubChem (CID 173074666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).