(2S)-2-(2,4-dibromophenyl)pyrrolidine

C10H11Br2N — CID 130706941

IUPAC(2S)-2-(2,4-dibromophenyl)pyrrolidine
SMILESBrc1ccc([C@@H]2CCCN2)c(Br)c1
InChIInChI=1S/C10H11Br2N/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m0/s1
InChIKeyKTVUZDSJKXFCLJ-JTQLQIEISA-N
MW305.01 g/mol
LogP3.64
Rot. Bonds1

About (2S)-2-(2,4-dibromophenyl)pyrrolidine

(2S)-2-(2,4-dibromophenyl)pyrrolidine (PubChem CID 130706941) has the molecular formula C10H11Br2N and a molecular weight of 305.01 g/mol. Its IUPAC name is (2S)-2-(2,4-dibromophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,4-dibromophenyl)pyrrolidine
PubChem CID130706941
Molecular FormulaC10H11Br2N
Molecular Weight305.01 g/mol
Exact Mass302.93
IUPAC Name(2S)-2-(2,4-dibromophenyl)pyrrolidine
SMILESBrc1ccc([C@@H]2CCCN2)c(Br)c1
InChIInChI=1S/C10H11Br2N/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m0/s1
InChIKeyKTVUZDSJKXFCLJ-JTQLQIEISA-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-(2,4-dibromophenyl)azepane
CID 107938538
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
4-bromo-2-piperidin-2-ylphenol
CID 82623427
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
CID 117489419
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dibromophenyl)pyrrolidine?
The IUPAC name of (2S)-2-(2,4-dibromophenyl)pyrrolidine (CID 130706941) is (2S)-2-(2,4-dibromophenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2,4-dibromophenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2,4-dibromophenyl)pyrrolidine is Brc1ccc([C@@H]2CCCN2)c(Br)c1.
What is the InChIKey of (2S)-2-(2,4-dibromophenyl)pyrrolidine?
The InChIKey is KTVUZDSJKXFCLJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11Br2N/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m0/s1.
What are the key properties of (2S)-2-(2,4-dibromophenyl)pyrrolidine?
(2S)-2-(2,4-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-(2,4-dibromophenyl)pyrrolidine is sourced from PubChem (CID 130706941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).