3,5-dibromo-2,6-dimethoxypyridine

C7H7Br2NO2 — CID 42553050

IUPAC3,5-dibromo-2,6-dimethoxypyridine
SMILESCOc1nc(OC)c(Br)cc1Br
InChIInChI=1S/C7H7Br2NO2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3
InChIKeySQWUBNSHUMRETN-UHFFFAOYSA-N
MW296.95 g/mol
LogP2.62
Rot. Bonds2

About 3,5-dibromo-2,6-dimethoxypyridine

3,5-dibromo-2,6-dimethoxypyridine (PubChem CID 42553050) has the molecular formula C7H7Br2NO2 and a molecular weight of 296.95 g/mol. Its IUPAC name is 3,5-dibromo-2,6-dimethoxypyridine.

Molecular Properties

Compound Name3,5-dibromo-2,6-dimethoxypyridine
PubChem CID42553050
Molecular FormulaC7H7Br2NO2
Molecular Weight296.95 g/mol
Exact Mass294.88
IUPAC Name3,5-dibromo-2,6-dimethoxypyridine
SMILESCOc1nc(OC)c(Br)cc1Br
InChIInChI=1S/C7H7Br2NO2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3
InChIKeySQWUBNSHUMRETN-UHFFFAOYSA-N
XLogP2.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.95
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2,6-dimethoxypyridine?
The IUPAC name of 3,5-dibromo-2,6-dimethoxypyridine (CID 42553050) is 3,5-dibromo-2,6-dimethoxypyridine.
What is the SMILES notation for 3,5-dibromo-2,6-dimethoxypyridine?
The canonical SMILES for 3,5-dibromo-2,6-dimethoxypyridine is COc1nc(OC)c(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2,6-dimethoxypyridine?
The InChIKey is SQWUBNSHUMRETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3.
What are the key properties of 3,5-dibromo-2,6-dimethoxypyridine?
3,5-dibromo-2,6-dimethoxypyridine has a molecular weight of 296.95 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2,6-dimethoxypyridine is sourced from PubChem (CID 42553050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).