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

C9H7BrClN — CID 143584618

IUPACN-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine
SMILESC=Nc1ccc(Br)cc1C(=C)Cl
InChIInChI=1S/C9H7BrClN/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H2
InChIKeyOCMWYKHQBKNFQH-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.99
Rot. Bonds2

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

N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine (PubChem CID 143584618) has the molecular formula C9H7BrClN and a molecular weight of 244.52 g/mol. Its IUPAC name is N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine
PubChem CID143584618
Molecular FormulaC9H7BrClN
Molecular Weight244.52 g/mol
Exact Mass242.95
IUPAC NameN-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine
SMILESC=Nc1ccc(Br)cc1C(=C)Cl
InChIInChI=1S/C9H7BrClN/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H2
InChIKeyOCMWYKHQBKNFQH-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine?
The IUPAC name of N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine (CID 143584618) is N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine.
What is the SMILES notation for N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine?
The canonical SMILES for N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine is C=Nc1ccc(Br)cc1C(=C)Cl.
What is the InChIKey of N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine?
The InChIKey is OCMWYKHQBKNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H2.
What are the key properties of N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine?
N-[4-bromo-2-(1-chloroethenyl)phenyl]methanimine has a molecular weight of 244.52 g/mol, XLogP of 3.99, 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)phenyl]methanimine is sourced from PubChem (CID 143584618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).