5-bromo-2-(bromomethyl)-3-methoxypyridine

C7H7Br2NO — CID 130777672

IUPAC5-bromo-2-(bromomethyl)-3-methoxypyridine
SMILESCOc1cc(Br)cnc1CBr
InChIInChI=1S/C7H7Br2NO/c1-11-7-2-5(9)4-10-6(7)3-8/h2,4H,3H2,1H3
InChIKeyDWHPEDVKXNRCGY-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.75
Rot. Bonds2

About 5-bromo-2-(bromomethyl)-3-methoxypyridine

5-bromo-2-(bromomethyl)-3-methoxypyridine (PubChem CID 130777672) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-3-methoxypyridine.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-3-methoxypyridine
PubChem CID130777672
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name5-bromo-2-(bromomethyl)-3-methoxypyridine
SMILESCOc1cc(Br)cnc1CBr
InChIInChI=1S/C7H7Br2NO/c1-11-7-2-5(9)4-10-6(7)3-8/h2,4H,3H2,1H3
InChIKeyDWHPEDVKXNRCGY-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-3-methoxypyridine?
The IUPAC name of 5-bromo-2-(bromomethyl)-3-methoxypyridine (CID 130777672) is 5-bromo-2-(bromomethyl)-3-methoxypyridine.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-3-methoxypyridine?
The canonical SMILES for 5-bromo-2-(bromomethyl)-3-methoxypyridine is COc1cc(Br)cnc1CBr.
What is the InChIKey of 5-bromo-2-(bromomethyl)-3-methoxypyridine?
The InChIKey is DWHPEDVKXNRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c1-11-7-2-5(9)4-10-6(7)3-8/h2,4H,3H2,1H3.
What are the key properties of 5-bromo-2-(bromomethyl)-3-methoxypyridine?
5-bromo-2-(bromomethyl)-3-methoxypyridine has a molecular weight of 280.95 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethyl)-3-methoxypyridine is sourced from PubChem (CID 130777672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).