1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine

C13H9N3O4 — CID 2841445

IUPAC1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H9N3O4/c17-15(18)12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16(19)20/h1-9H/b14-9+
InChIKeyBFILIJXBSDOBLK-NTEUORMPSA-N
MW271.23 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine

1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine (PubChem CID 2841445) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine
PubChem CID2841445
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H9N3O4/c17-15(18)12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16(19)20/h1-9H/b14-9+
InChIKeyBFILIJXBSDOBLK-NTEUORMPSA-N
XLogP3.25
TPSA98.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine?
The IUPAC name of 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine (CID 2841445) is 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine.
What is the SMILES notation for 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine?
The canonical SMILES for 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine?
The InChIKey is BFILIJXBSDOBLK-NTEUORMPSA-N. The full InChI is InChI=1S/C13H9N3O4/c17-15(18)12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16(19)20/h1-9H/b14-9+.
What are the key properties of 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine?
1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine has a molecular weight of 271.23 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-(4-nitrophenyl)methanimine is sourced from PubChem (CID 2841445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).