5-iodo-2-methoxypyridine

C6H6INO — CID 23423786

IUPAC5-iodo-2-methoxypyridine
SMILESCOc1ccc(I)cn1
InChIInChI=1S/C6H6INO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKeyNTXRNCUPGYOZCN-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.69
Rot. Bonds1

About 5-iodo-2-methoxypyridine

5-iodo-2-methoxypyridine (PubChem CID 23423786) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is 5-iodo-2-methoxypyridine.

Molecular Properties

Compound Name5-iodo-2-methoxypyridine
PubChem CID23423786
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name5-iodo-2-methoxypyridine
SMILESCOc1ccc(I)cn1
InChIInChI=1S/C6H6INO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKeyNTXRNCUPGYOZCN-UHFFFAOYSA-N
XLogP1.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methoxypyridine?
The IUPAC name of 5-iodo-2-methoxypyridine (CID 23423786) is 5-iodo-2-methoxypyridine.
What is the SMILES notation for 5-iodo-2-methoxypyridine?
The canonical SMILES for 5-iodo-2-methoxypyridine is COc1ccc(I)cn1.
What is the InChIKey of 5-iodo-2-methoxypyridine?
The InChIKey is NTXRNCUPGYOZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3.
What are the key properties of 5-iodo-2-methoxypyridine?
5-iodo-2-methoxypyridine has a molecular weight of 235.02 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methoxypyridine is sourced from PubChem (CID 23423786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).