1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine

C11H13BrINO — CID 168514103

IUPAC1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(I)ccc(Br)c1N1CCCC1
InChIInChI=1S/C11H13BrINO/c1-15-11-9(13)5-4-8(12)10(11)14-6-2-3-7-14/h4-5H,2-3,6-7H2,1H3
InChIKeyWEUVLJNYJKXTQP-UHFFFAOYSA-N
MW382.04 g/mol
LogP3.66
Rot. Bonds2

About 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine

1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine (PubChem CID 168514103) has the molecular formula C11H13BrINO and a molecular weight of 382.04 g/mol. Its IUPAC name is 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine
PubChem CID168514103
Molecular FormulaC11H13BrINO
Molecular Weight382.04 g/mol
Exact Mass380.92
IUPAC Name1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(I)ccc(Br)c1N1CCCC1
InChIInChI=1S/C11H13BrINO/c1-15-11-9(13)5-4-8(12)10(11)14-6-2-3-7-14/h4-5H,2-3,6-7H2,1H3
InChIKeyWEUVLJNYJKXTQP-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.04
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine 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

1-(4-bromo-6-iodo-3-methoxy-2-nitrophenyl)pyrrolidine
CID 168515536
1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine
CID 168512911
1-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]pyrrolidine
CID 168515165
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
3-bromo-1-iodo-2-methoxy-4-methylbenzene
CID 171033325
1-(2,4-dibromonaphthalen-1-yl)pyrrolidine
CID 69226241
1-(5-bromo-1,3-benzodioxol-4-yl)pyrrolidine
CID 168515252
1,3-diiodo-2-methoxybenzene
CID 12610037
1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
CID 168512756
6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
CID 168515676
(2-bromo-4-iodo-3-methoxyphenyl)methanol
CID 171007673
3,5-dibromo-4-piperidin-1-ylpyridine
CID 629258

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine (CID 168514103) is 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine is COc1c(I)ccc(Br)c1N1CCCC1.
What is the InChIKey of 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine?
The InChIKey is WEUVLJNYJKXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrINO/c1-15-11-9(13)5-4-8(12)10(11)14-6-2-3-7-14/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine?
1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine has a molecular weight of 382.04 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-iodo-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 168514103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).