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

C10H11BrIN — CID 130043760

IUPAC2-(4-bromo-3-iodophenyl)pyrrolidine
SMILESBrc1ccc(C2CCCN2)cc1I
InChIInChI=1S/C10H11BrIN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKeyKXQKWJIADUDPOV-UHFFFAOYSA-N
MW352.01 g/mol
LogP3.48
Rot. Bonds1

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

2-(4-bromo-3-iodophenyl)pyrrolidine (PubChem CID 130043760) has the molecular formula C10H11BrIN and a molecular weight of 352.01 g/mol. Its IUPAC name is 2-(4-bromo-3-iodophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-3-iodophenyl)pyrrolidine
PubChem CID130043760
Molecular FormulaC10H11BrIN
Molecular Weight352.01 g/mol
Exact Mass350.91
IUPAC Name2-(4-bromo-3-iodophenyl)pyrrolidine
SMILESBrc1ccc(C2CCCN2)cc1I
InChIInChI=1S/C10H11BrIN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKeyKXQKWJIADUDPOV-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.01
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
(2S)-2-(3-bromo-4-iodophenyl)azetidine
CID 131098153
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
(2S)-2-(4-bromo-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171196352
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672
2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-iodophenyl)pyrrolidine?
The IUPAC name of 2-(4-bromo-3-iodophenyl)pyrrolidine (CID 130043760) is 2-(4-bromo-3-iodophenyl)pyrrolidine.
What is the SMILES notation for 2-(4-bromo-3-iodophenyl)pyrrolidine?
The canonical SMILES for 2-(4-bromo-3-iodophenyl)pyrrolidine is Brc1ccc(C2CCCN2)cc1I.
What is the InChIKey of 2-(4-bromo-3-iodophenyl)pyrrolidine?
The InChIKey is KXQKWJIADUDPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrIN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2.
What are the key properties of 2-(4-bromo-3-iodophenyl)pyrrolidine?
2-(4-bromo-3-iodophenyl)pyrrolidine has a molecular weight of 352.01 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-iodophenyl)pyrrolidine is sourced from PubChem (CID 130043760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).