2-[(E)-but-2-enoxy]-3-iodopyridine

C9H10INO — CID 15274355

IUPAC2-[(E)-but-2-enoxy]-3-iodopyridine
SMILESC/C=C/COc1ncccc1I
InChIInChI=1S/C9H10INO/c1-2-3-7-12-9-8(10)5-4-6-11-9/h2-6H,7H2,1H3/b3-2+
InChIKeyGKRXSLFZUCUXKF-NSCUHMNNSA-N
MW275.09 g/mol
LogP2.64
Rot. Bonds3

About 2-[(E)-but-2-enoxy]-3-iodopyridine

2-[(E)-but-2-enoxy]-3-iodopyridine (PubChem CID 15274355) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-3-iodopyridine.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-3-iodopyridine
PubChem CID15274355
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name2-[(E)-but-2-enoxy]-3-iodopyridine
SMILESC/C=C/COc1ncccc1I
InChIInChI=1S/C9H10INO/c1-2-3-7-12-9-8(10)5-4-6-11-9/h2-6H,7H2,1H3/b3-2+
InChIKeyGKRXSLFZUCUXKF-NSCUHMNNSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]-3-iodopyridine?
The IUPAC name of 2-[(E)-but-2-enoxy]-3-iodopyridine (CID 15274355) is 2-[(E)-but-2-enoxy]-3-iodopyridine.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-3-iodopyridine?
The canonical SMILES for 2-[(E)-but-2-enoxy]-3-iodopyridine is C/C=C/COc1ncccc1I.
What is the InChIKey of 2-[(E)-but-2-enoxy]-3-iodopyridine?
The InChIKey is GKRXSLFZUCUXKF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10INO/c1-2-3-7-12-9-8(10)5-4-6-11-9/h2-6H,7H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]-3-iodopyridine?
2-[(E)-but-2-enoxy]-3-iodopyridine has a molecular weight of 275.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-3-iodopyridine is sourced from PubChem (CID 15274355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).