1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine

C10H10BrClN2 — CID 81279925

IUPAC1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cc(Cl)ccc1Br
InChIInChI=1S/C10H10BrClN2/c11-8-4-3-7(12)6-9(8)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+
InChIKeyKYJHSYBKGYIBCG-JLHYYAGUSA-N
MW273.56 g/mol
LogP3.68
Rot. Bonds1

About 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine

1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine (PubChem CID 81279925) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine
PubChem CID81279925
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cc(Cl)ccc1Br
InChIInChI=1S/C10H10BrClN2/c11-8-4-3-7(12)6-9(8)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+
InChIKeyKYJHSYBKGYIBCG-JLHYYAGUSA-N
XLogP3.68
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine (CID 81279925) is 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine?
The InChIKey is KYJHSYBKGYIBCG-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H10BrClN2/c11-8-4-3-7(12)6-9(8)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+.
What are the key properties of 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine?
1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine has a molecular weight of 273.56 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine is sourced from PubChem (CID 81279925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).