2-(3-bromo-5-chlorophenyl)pyrrolidine

C10H11BrClN — CID 83735489

IUPAC2-(3-bromo-5-chlorophenyl)pyrrolidine
SMILESClc1cc(Br)cc(C2CCCN2)c1
InChIInChI=1S/C10H11BrClN/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2
InChIKeyWSFHFWWZQCMDFL-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.53
Rot. Bonds1

About 2-(3-bromo-5-chlorophenyl)pyrrolidine

2-(3-bromo-5-chlorophenyl)pyrrolidine (PubChem CID 83735489) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 2-(3-bromo-5-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-5-chlorophenyl)pyrrolidine
PubChem CID83735489
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name2-(3-bromo-5-chlorophenyl)pyrrolidine
SMILESClc1cc(Br)cc(C2CCCN2)c1
InChIInChI=1S/C10H11BrClN/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2
InChIKeyWSFHFWWZQCMDFL-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Chlorophenyl)pyrrolidine
CID 4579806
2-(3-Bromophenyl)pyrrolidine
CID 4202301
(3-Bromo-5-chlorophenyl)methanamine
CID 58962965
(2S)-2-(3-Bromophenyl)pyrrolidine hcl
CID 91844794
2-(5-Bromo-2-chlorophenyl)pyrrolidine
CID 3906446
1-(3-Bromo-5-chlorophenyl)-2-methylpropan-1-amine
CID 83737665
(2R)-2-(3-Bromophenyl)pyrrolidine hcl
CID 91844793
2-(4-Bromo-2-chlorophenyl)pyrrolidine hydrochloride
CID 134690691
2-(3-Bromo-5-chlorophenyl)pyrrolidine hydrochloride
CID 137964098
(1R)-1-(3-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 155928599
(1S)-1-(3-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
CID 177797520
2-[(4-Bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine
CID 57146204

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chlorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-5-chlorophenyl)pyrrolidine (CID 83735489) is 2-(3-bromo-5-chlorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-5-chlorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-5-chlorophenyl)pyrrolidine is Clc1cc(Br)cc(C2CCCN2)c1.
What is the InChIKey of 2-(3-bromo-5-chlorophenyl)pyrrolidine?
The InChIKey is WSFHFWWZQCMDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2.
What are the key properties of 2-(3-bromo-5-chlorophenyl)pyrrolidine?
2-(3-bromo-5-chlorophenyl)pyrrolidine has a molecular weight of 260.56 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chlorophenyl)pyrrolidine is sourced from PubChem (CID 83735489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).