3-(3-iodophenyl)pyrrolidine;hydrochloride

C10H13ClIN — CID 169498448

IUPAC3-(3-iodophenyl)pyrrolidine;hydrochloride
SMILESCl.Ic1cccc(C2CCNC2)c1
InChIInChI=1S/C10H12IN.ClH/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;/h1-3,6,9,12H,4-5,7H2;1H
InChIKeyFMVXBLACOKYVIS-UHFFFAOYSA-N
MW309.58 g/mol
LogP2.79
Rot. Bonds1

About 3-(3-iodophenyl)pyrrolidine;hydrochloride

3-(3-iodophenyl)pyrrolidine;hydrochloride (PubChem CID 169498448) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is 3-(3-iodophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(3-iodophenyl)pyrrolidine;hydrochloride
PubChem CID169498448
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC Name3-(3-iodophenyl)pyrrolidine;hydrochloride
SMILESCl.Ic1cccc(C2CCNC2)c1
InChIInChI=1S/C10H12IN.ClH/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;/h1-3,6,9,12H,4-5,7H2;1H
InChIKeyFMVXBLACOKYVIS-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-iodophenyl)pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-pyrrolidin-3-ylphenol
CID 12937992
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-pyrrolidin-3-ylbenzonitrile;hydrochloride
CID 139593331
1-cyclohexyl-3-iodobenzene
CID 155943278
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
ethane;3-phenylpyrrolidine
CID 91032726

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(3-iodophenyl)pyrrolidine;hydrochloride (CID 169498448) is 3-(3-iodophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(3-iodophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(3-iodophenyl)pyrrolidine;hydrochloride is Cl.Ic1cccc(C2CCNC2)c1.
What is the InChIKey of 3-(3-iodophenyl)pyrrolidine;hydrochloride?
The InChIKey is FMVXBLACOKYVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN.ClH/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;/h1-3,6,9,12H,4-5,7H2;1H.
What are the key properties of 3-(3-iodophenyl)pyrrolidine;hydrochloride?
3-(3-iodophenyl)pyrrolidine;hydrochloride has a molecular weight of 309.58 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169498448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).