2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine

C8H9BrINO2 — CID 166167367

IUPAC2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine
SMILESCOCOc1c(I)cc(C)nc1Br
InChIInChI=1S/C8H9BrINO2/c1-5-3-6(10)7(8(9)11-5)13-4-12-2/h3H,4H2,1-2H3
InChIKeyLYEUPDJNZMVLRH-UHFFFAOYSA-N
MW357.97 g/mol
LogP2.74
Rot. Bonds3

About 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine

2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine (PubChem CID 166167367) has the molecular formula C8H9BrINO2 and a molecular weight of 357.97 g/mol. Its IUPAC name is 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine
PubChem CID166167367
Molecular FormulaC8H9BrINO2
Molecular Weight357.97 g/mol
Exact Mass356.89
IUPAC Name2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine
SMILESCOCOc1c(I)cc(C)nc1Br
InChIInChI=1S/C8H9BrINO2/c1-5-3-6(10)7(8(9)11-5)13-4-12-2/h3H,4H2,1-2H3
InChIKeyLYEUPDJNZMVLRH-UHFFFAOYSA-N
XLogP2.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine?
The IUPAC name of 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine (CID 166167367) is 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine.
What is the SMILES notation for 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine?
The canonical SMILES for 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine is COCOc1c(I)cc(C)nc1Br.
What is the InChIKey of 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine?
The InChIKey is LYEUPDJNZMVLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrINO2/c1-5-3-6(10)7(8(9)11-5)13-4-12-2/h3H,4H2,1-2H3.
What are the key properties of 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine?
2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine has a molecular weight of 357.97 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodo-3-(methoxymethoxy)-6-methylpyridine is sourced from PubChem (CID 166167367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).