(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine

C10H11ClIN — CID 130648802

IUPAC(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine
SMILESClc1ccc([C@H]2CCCN2)c(I)c1
InChIInChI=1S/C10H11ClIN/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m1/s1
InChIKeyMMSFWCOBCRFQRX-SNVBAGLBSA-N
MW307.56 g/mol
LogP3.37
Rot. Bonds1

About (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine

(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine (PubChem CID 130648802) has the molecular formula C10H11ClIN and a molecular weight of 307.56 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine
PubChem CID130648802
Molecular FormulaC10H11ClIN
Molecular Weight307.56 g/mol
Exact Mass306.96
IUPAC Name(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine
SMILESClc1ccc([C@H]2CCCN2)c(I)c1
InChIInChI=1S/C10H11ClIN/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m1/s1
InChIKeyMMSFWCOBCRFQRX-SNVBAGLBSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.56
LogP ≤ 53.37
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-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
CID 107641180
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine?
The IUPAC name of (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine (CID 130648802) is (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine is Clc1ccc([C@H]2CCCN2)c(I)c1.
What is the InChIKey of (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine?
The InChIKey is MMSFWCOBCRFQRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11ClIN/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine?
(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine has a molecular weight of 307.56 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-iodophenyl)pyrrolidine is sourced from PubChem (CID 130648802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).