2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine

C11H13I2NO — CID 165356724

IUPAC2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(I)cc(I)cc1C1CCCN1
InChIInChI=1S/C11H13I2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3
InChIKeyMIBAPIPMLRKRQC-UHFFFAOYSA-N
MW429.04 g/mol
LogP3.33
Rot. Bonds2

About 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine

2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine (PubChem CID 165356724) has the molecular formula C11H13I2NO and a molecular weight of 429.04 g/mol. Its IUPAC name is 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
PubChem CID165356724
Molecular FormulaC11H13I2NO
Molecular Weight429.04 g/mol
Exact Mass428.91
IUPAC Name2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(I)cc(I)cc1C1CCCN1
InChIInChI=1S/C11H13I2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3
InChIKeyMIBAPIPMLRKRQC-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.04
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117355654
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
2-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]pyrrolidine
CID 84702557
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine (CID 165356724) is 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine is COc1c(I)cc(I)cc1C1CCCN1.
What is the InChIKey of 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine?
The InChIKey is MIBAPIPMLRKRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3.
What are the key properties of 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine?
2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine has a molecular weight of 429.04 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 165356724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).