N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine

C13H9ClN2O2 — CID 690813

IUPACN-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClN2O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H/b15-9+
InChIKeyWVWIAWOOTNQWGY-OQLLNIDSSA-N
MW260.68 g/mol
LogP4.00
Rot. Bonds3

About N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine

N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine (PubChem CID 690813) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine
PubChem CID690813
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC NameN-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClN2O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H/b15-9+
InChIKeyWVWIAWOOTNQWGY-OQLLNIDSSA-N
XLogP4.00
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine (CID 690813) is N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine?
The InChIKey is WVWIAWOOTNQWGY-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H/b15-9+.
What are the key properties of N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine?
N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine has a molecular weight of 260.68 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 690813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).