(2S)-2-(2,3-dibromophenyl)pyrrolidine

C10H11Br2N — CID 131217135

IUPAC(2S)-2-(2,3-dibromophenyl)pyrrolidine
SMILESBrc1cccc([C@@H]2CCCN2)c1Br
InChIInChI=1S/C10H11Br2N/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1,3-4,9,13H,2,5-6H2/t9-/m0/s1
InChIKeyULCKSAYMGKWXTL-VIFPVBQESA-N
MW305.01 g/mol
LogP3.64
Rot. Bonds1

About (2S)-2-(2,3-dibromophenyl)pyrrolidine

(2S)-2-(2,3-dibromophenyl)pyrrolidine (PubChem CID 131217135) has the molecular formula C10H11Br2N and a molecular weight of 305.01 g/mol. Its IUPAC name is (2S)-2-(2,3-dibromophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,3-dibromophenyl)pyrrolidine
PubChem CID131217135
Molecular FormulaC10H11Br2N
Molecular Weight305.01 g/mol
Exact Mass302.93
IUPAC Name(2S)-2-(2,3-dibromophenyl)pyrrolidine
SMILESBrc1cccc([C@@H]2CCCN2)c1Br
InChIInChI=1S/C10H11Br2N/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1,3-4,9,13H,2,5-6H2/t9-/m0/s1
InChIKeyULCKSAYMGKWXTL-VIFPVBQESA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.01
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-bromo-3-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130644804
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306
2-(2-bromo-3,4-difluorophenyl)piperidine
CID 84714328
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dibromophenyl)pyrrolidine?
The IUPAC name of (2S)-2-(2,3-dibromophenyl)pyrrolidine (CID 131217135) is (2S)-2-(2,3-dibromophenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2,3-dibromophenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2,3-dibromophenyl)pyrrolidine is Brc1cccc([C@@H]2CCCN2)c1Br.
What is the InChIKey of (2S)-2-(2,3-dibromophenyl)pyrrolidine?
The InChIKey is ULCKSAYMGKWXTL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11Br2N/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1,3-4,9,13H,2,5-6H2/t9-/m0/s1.
What are the key properties of (2S)-2-(2,3-dibromophenyl)pyrrolidine?
(2S)-2-(2,3-dibromophenyl)pyrrolidine has a molecular weight of 305.01 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dibromophenyl)pyrrolidine is sourced from PubChem (CID 131217135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).