(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride

C10H12BrCl2N — CID 171196289

IUPAC(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc([C@@H]2CCCN2)cc1Br
InChIInChI=1S/C10H11BrClN.ClH/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m0./s1
InChIKeyGSBOWGAZHZORPI-PPHPATTJSA-N
MW297.02 g/mol
LogP3.95
Rot. Bonds1

About (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride

(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride (PubChem CID 171196289) has the molecular formula C10H12BrCl2N and a molecular weight of 297.02 g/mol. Its IUPAC name is (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
PubChem CID171196289
Molecular FormulaC10H12BrCl2N
Molecular Weight297.02 g/mol
Exact Mass294.95
IUPAC Name(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc([C@@H]2CCCN2)cc1Br
InChIInChI=1S/C10H11BrClN.ClH/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m0./s1
InChIKeyGSBOWGAZHZORPI-PPHPATTJSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.02
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
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2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
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(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
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CID 130043760
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
(3S)-3-(3-bromo-4-chlorophenyl)morpholine
CID 130748628
(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195947
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
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2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride (CID 171196289) is (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride is Cl.Clc1ccc([C@@H]2CCCN2)cc1Br.
What is the InChIKey of (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride?
The InChIKey is GSBOWGAZHZORPI-PPHPATTJSA-N. The full InChI is InChI=1S/C10H11BrClN.ClH/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride?
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride has a molecular weight of 297.02 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).