5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine

C11H15IN2O — CID 146283772

IUPAC5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine
SMILESCc1cc(O[C@@H]2CCN(I)C2)cnc1C
InChIInChI=1S/C11H15IN2O/c1-8-5-11(6-13-9(8)2)15-10-3-4-14(12)7-10/h5-6,10H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyRWXLZSSBRQPHMI-SNVBAGLBSA-N
MW318.16 g/mol
LogP2.50
Rot. Bonds2

About 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine

5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine (PubChem CID 146283772) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine.

Molecular Properties

Compound Name5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine
PubChem CID146283772
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine
SMILESCc1cc(O[C@@H]2CCN(I)C2)cnc1C
InChIInChI=1S/C11H15IN2O/c1-8-5-11(6-13-9(8)2)15-10-3-4-14(12)7-10/h5-6,10H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyRWXLZSSBRQPHMI-SNVBAGLBSA-N
XLogP2.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine?
The IUPAC name of 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine (CID 146283772) is 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine.
What is the SMILES notation for 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine?
The canonical SMILES for 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine is Cc1cc(O[C@@H]2CCN(I)C2)cnc1C.
What is the InChIKey of 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine?
The InChIKey is RWXLZSSBRQPHMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-8-5-11(6-13-9(8)2)15-10-3-4-14(12)7-10/h5-6,10H,3-4,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine?
5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine has a molecular weight of 318.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-iodopyrrolidin-3-yl]oxy-2,3-dimethylpyridine is sourced from PubChem (CID 146283772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).