N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine

C9H6BrClFN — CID 176955169

IUPACN-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine
SMILESC=Nc1ccc(Br)c(F)c1C(=C)Cl
InChIInChI=1S/C9H6BrClFN/c1-5(11)8-7(13-2)4-3-6(10)9(8)12/h3-4H,1-2H2
InChIKeyGWUZUDKEAPHEBI-UHFFFAOYSA-N
MW262.51 g/mol
LogP4.13
Rot. Bonds2

About N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine

N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine (PubChem CID 176955169) has the molecular formula C9H6BrClFN and a molecular weight of 262.51 g/mol. Its IUPAC name is N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine.

Molecular Properties

Compound NameN-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine
PubChem CID176955169
Molecular FormulaC9H6BrClFN
Molecular Weight262.51 g/mol
Exact Mass260.94
IUPAC NameN-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine
SMILESC=Nc1ccc(Br)c(F)c1C(=C)Cl
InChIInChI=1S/C9H6BrClFN/c1-5(11)8-7(13-2)4-3-6(10)9(8)12/h3-4H,1-2H2
InChIKeyGWUZUDKEAPHEBI-UHFFFAOYSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine?
The IUPAC name of N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine (CID 176955169) is N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine.
What is the SMILES notation for N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine?
The canonical SMILES for N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine is C=Nc1ccc(Br)c(F)c1C(=C)Cl.
What is the InChIKey of N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine?
The InChIKey is GWUZUDKEAPHEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN/c1-5(11)8-7(13-2)4-3-6(10)9(8)12/h3-4H,1-2H2.
What are the key properties of N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine?
N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine has a molecular weight of 262.51 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(1-chloroethenyl)-3-fluorophenyl]methanimine is sourced from PubChem (CID 176955169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).