2-[(5-iodo-2-pyridinyl)oxy]ethanamine

C7H9IN2O — CID 134519401

IUPAC2-[(5-iodo-2-pyridinyl)oxy]ethanamine
SMILESNCCOc1ccc(I)cn1
InChIInChI=1S/C7H9IN2O/c8-6-1-2-7(10-5-6)11-4-3-9/h1-2,5H,3-4,9H2
InChIKeyINJWEMYUMUSIEN-UHFFFAOYSA-N
MW264.07 g/mol
LogP1.02
Rot. Bonds3

About 2-[(5-iodo-2-pyridinyl)oxy]ethanamine

2-[(5-iodo-2-pyridinyl)oxy]ethanamine (PubChem CID 134519401) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is 2-[(5-iodo-2-pyridinyl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(5-iodo-2-pyridinyl)oxy]ethanamine
PubChem CID134519401
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name2-[(5-iodo-2-pyridinyl)oxy]ethanamine
SMILESNCCOc1ccc(I)cn1
InChIInChI=1S/C7H9IN2O/c8-6-1-2-7(10-5-6)11-4-3-9/h1-2,5H,3-4,9H2
InChIKeyINJWEMYUMUSIEN-UHFFFAOYSA-N
XLogP1.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-2-pyridinyl)oxy]ethanamine?
The IUPAC name of 2-[(5-iodo-2-pyridinyl)oxy]ethanamine (CID 134519401) is 2-[(5-iodo-2-pyridinyl)oxy]ethanamine.
What is the SMILES notation for 2-[(5-iodo-2-pyridinyl)oxy]ethanamine?
The canonical SMILES for 2-[(5-iodo-2-pyridinyl)oxy]ethanamine is NCCOc1ccc(I)cn1.
What is the InChIKey of 2-[(5-iodo-2-pyridinyl)oxy]ethanamine?
The InChIKey is INJWEMYUMUSIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c8-6-1-2-7(10-5-6)11-4-3-9/h1-2,5H,3-4,9H2.
What are the key properties of 2-[(5-iodo-2-pyridinyl)oxy]ethanamine?
2-[(5-iodo-2-pyridinyl)oxy]ethanamine has a molecular weight of 264.07 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodo-2-pyridinyl)oxy]ethanamine is sourced from PubChem (CID 134519401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).