4-bromo-3-iodo-2-methoxypyridine

C6H5BrINO — CID 172993167

IUPAC4-bromo-3-iodo-2-methoxypyridine
SMILESCOc1nccc(Br)c1I
InChIInChI=1S/C6H5BrINO/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,1H3
InChIKeyBKORNYVWTZAISB-UHFFFAOYSA-N
MW313.92 g/mol
LogP2.46
Rot. Bonds1

About 4-bromo-3-iodo-2-methoxypyridine

4-bromo-3-iodo-2-methoxypyridine (PubChem CID 172993167) has the molecular formula C6H5BrINO and a molecular weight of 313.92 g/mol. Its IUPAC name is 4-bromo-3-iodo-2-methoxypyridine.

Molecular Properties

Compound Name4-bromo-3-iodo-2-methoxypyridine
PubChem CID172993167
Molecular FormulaC6H5BrINO
Molecular Weight313.92 g/mol
Exact Mass312.86
IUPAC Name4-bromo-3-iodo-2-methoxypyridine
SMILESCOc1nccc(Br)c1I
InChIInChI=1S/C6H5BrINO/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,1H3
InChIKeyBKORNYVWTZAISB-UHFFFAOYSA-N
XLogP2.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 52.46
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 4-bromo-3-iodo-2-methoxypyridine?
The IUPAC name of 4-bromo-3-iodo-2-methoxypyridine (CID 172993167) is 4-bromo-3-iodo-2-methoxypyridine.
What is the SMILES notation for 4-bromo-3-iodo-2-methoxypyridine?
The canonical SMILES for 4-bromo-3-iodo-2-methoxypyridine is COc1nccc(Br)c1I.
What is the InChIKey of 4-bromo-3-iodo-2-methoxypyridine?
The InChIKey is BKORNYVWTZAISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrINO/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,1H3.
What are the key properties of 4-bromo-3-iodo-2-methoxypyridine?
4-bromo-3-iodo-2-methoxypyridine has a molecular weight of 313.92 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-2-methoxypyridine is sourced from PubChem (CID 172993167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).