2-(3-bromo-4-chlorophenyl)pyrrolidine

C10H11BrClN — CID 53403563

IUPAC2-(3-bromo-4-chlorophenyl)pyrrolidine
SMILESClc1ccc(C2CCCN2)cc1Br
InChIInChI=1S/C10H11BrClN/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKeyQMUNUBDQYDYHAV-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.53
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)pyrrolidine

2-(3-bromo-4-chlorophenyl)pyrrolidine (PubChem CID 53403563) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)pyrrolidine
PubChem CID53403563
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name2-(3-bromo-4-chlorophenyl)pyrrolidine
SMILESClc1ccc(C2CCCN2)cc1Br
InChIInChI=1S/C10H11BrClN/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKeyQMUNUBDQYDYHAV-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

(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
(3S)-3-(3-bromo-4-chlorophenyl)morpholine
CID 130748628
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
CID 84800143

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)pyrrolidine (CID 53403563) is 2-(3-bromo-4-chlorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)pyrrolidine is Clc1ccc(C2CCCN2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)pyrrolidine?
The InChIKey is QMUNUBDQYDYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2.
What are the key properties of 2-(3-bromo-4-chlorophenyl)pyrrolidine?
2-(3-bromo-4-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-4-chlorophenyl)pyrrolidine is sourced from PubChem (CID 53403563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).