(2R)-2-(2-iodo-5-methoxyphenyl)azetidine

C10H12INO — CID 130626622

IUPAC(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
SMILESCOc1ccc(I)c([C@H]2CCN2)c1
InChIInChI=1S/C10H12INO/c1-13-7-2-3-9(11)8(6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyMALJDXBLHZWBLH-SNVBAGLBSA-N
MW289.12 g/mol
LogP2.33
Rot. Bonds2

About (2R)-2-(2-iodo-5-methoxyphenyl)azetidine

(2R)-2-(2-iodo-5-methoxyphenyl)azetidine (PubChem CID 130626622) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is (2R)-2-(2-iodo-5-methoxyphenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
PubChem CID130626622
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
SMILESCOc1ccc(I)c([C@H]2CCN2)c1
InChIInChI=1S/C10H12INO/c1-13-7-2-3-9(11)8(6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyMALJDXBLHZWBLH-SNVBAGLBSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.33
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-dimethoxyphenyl)azetidine
CID 55295985
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
CID 171197142
3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
4-methoxy-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 14857735
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-iodo-5-methoxyphenyl)azetidine?
The IUPAC name of (2R)-2-(2-iodo-5-methoxyphenyl)azetidine (CID 130626622) is (2R)-2-(2-iodo-5-methoxyphenyl)azetidine.
What is the SMILES notation for (2R)-2-(2-iodo-5-methoxyphenyl)azetidine?
The canonical SMILES for (2R)-2-(2-iodo-5-methoxyphenyl)azetidine is COc1ccc(I)c([C@H]2CCN2)c1.
What is the InChIKey of (2R)-2-(2-iodo-5-methoxyphenyl)azetidine?
The InChIKey is MALJDXBLHZWBLH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12INO/c1-13-7-2-3-9(11)8(6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(2-iodo-5-methoxyphenyl)azetidine?
(2R)-2-(2-iodo-5-methoxyphenyl)azetidine has a molecular weight of 289.12 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-iodo-5-methoxyphenyl)azetidine is sourced from PubChem (CID 130626622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).