dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium

C23H21Cl2FeN4No2O2- — CID 140844547

About dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium

dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium (PubChem CID 140844547) has the molecular formula C23H21Cl2FeN4No2O2- and a molecular weight of 1030.20 g/mol. Its IUPAC name is dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium.

Molecular Properties

• Compound Name: dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium
• PubChem CID: 140844547
• Molecular Formula: C23H21Cl2FeN4No2O2-
• Molecular Weight: 1030.20 g/mol
• Exact Mass: 1029.24
• IUPAC Name: dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium
• SMILES: C/C(=N\c1cc[c-]cc1C)c1cccc(/C(C)=N/c2ccc([N+](=O)[O-])cc2C)n1.Cl[Fe]Cl.[No].[No]
• InChI: InChI=1S/C23H21N4O2.2ClH.Fe.2No/c1-15-8-5-6-9-20(15)24-17(3)22-10-7-11-23(26-22)18(4)25-21-13-12-19(27(28)29)14-16(21)2;;;;;/h6-14H,1-4H3;2*1H;;;/q-1;;;+2;;/p-2/b24-17+,25-18+
• InChIKey: ADVBWCPJLGKPAK-ZGQRZVGBSA-L
• XLogP: 7.06
• TPSA: 80.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.20
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium?

The IUPAC name of dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium (CID 140844547) is dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium.

What is the SMILES notation for dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium?

The canonical SMILES for dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium is C/C(=N\c1cc[c-]cc1C)c1cccc(/C(C)=N/c2ccc([N+](=O)[O-])cc2C)n1.Cl[Fe]Cl.[No].[No].

What is the InChIKey of dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium?

The InChIKey is ADVBWCPJLGKPAK-ZGQRZVGBSA-L. The full InChI is InChI=1S/C23H21N4O2.2ClH.Fe.2No/c1-15-8-5-6-9-20(15)24-17(3)22-10-7-11-23(26-22)18(4)25-21-13-12-19(27(28)29)14-16(21)2;;;;;/h6-14H,1-4H3;2*1H;;;/q-1;;;+2;;/p-2/b24-17+,25-18+;;;;;.

What are the key properties of dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium?

dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium has a molecular weight of 1030.20 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for dichloroiron;N-(2-methylbenzene-4-id-1-yl)-1-[6-[C-methyl-N-(2-methyl-4-nitrophenyl)carbonimidoyl]-2-pyridinyl]ethanimine;nobelium is sourced from PubChem (CID 140844547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).