1-(2-bromo-3-chlorophenyl)pyrrolidine

C10H11BrClN — CID 103480260

IUPAC1-(2-bromo-3-chlorophenyl)pyrrolidine
SMILESClc1cccc(N2CCCC2)c1Br
InChIInChI=1S/C10H11BrClN/c11-10-8(12)4-3-5-9(10)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKeyCZQLKJBZRZZJDX-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.70
Rot. Bonds1

About 1-(2-bromo-3-chlorophenyl)pyrrolidine

1-(2-bromo-3-chlorophenyl)pyrrolidine (PubChem CID 103480260) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)pyrrolidine
PubChem CID103480260
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name1-(2-bromo-3-chlorophenyl)pyrrolidine
SMILESClc1cccc(N2CCCC2)c1Br
InChIInChI=1S/C10H11BrClN/c11-10-8(12)4-3-5-9(10)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKeyCZQLKJBZRZZJDX-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)pyrrolidine?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)pyrrolidine (CID 103480260) is 1-(2-bromo-3-chlorophenyl)pyrrolidine.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)pyrrolidine?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)pyrrolidine is Clc1cccc(N2CCCC2)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)pyrrolidine?
The InChIKey is CZQLKJBZRZZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c11-10-8(12)4-3-5-9(10)13-6-1-2-7-13/h3-5H,1-2,6-7H2.
What are the key properties of 1-(2-bromo-3-chlorophenyl)pyrrolidine?
1-(2-bromo-3-chlorophenyl)pyrrolidine has a molecular weight of 260.56 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)pyrrolidine is sourced from PubChem (CID 103480260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).