2-bromo-3-(difluoromethoxy)-6-methylpyridine

C7H6BrF2NO — CID 118995492

IUPAC2-bromo-3-(difluoromethoxy)-6-methylpyridine
SMILESCc1ccc(OC(F)F)c(Br)n1
InChIInChI=1S/C7H6BrF2NO/c1-4-2-3-5(6(8)11-4)12-7(9)10/h2-3,7H,1H3
InChIKeyTZVNOZDVOBQKOX-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.75
Rot. Bonds2

About 2-bromo-3-(difluoromethoxy)-6-methylpyridine

2-bromo-3-(difluoromethoxy)-6-methylpyridine (PubChem CID 118995492) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethoxy)-6-methylpyridine
PubChem CID118995492
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name2-bromo-3-(difluoromethoxy)-6-methylpyridine
SMILESCc1ccc(OC(F)F)c(Br)n1
InChIInChI=1S/C7H6BrF2NO/c1-4-2-3-5(6(8)11-4)12-7(9)10/h2-3,7H,1H3
InChIKeyTZVNOZDVOBQKOX-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethoxy)-6-methylpyridine?
The IUPAC name of 2-bromo-3-(difluoromethoxy)-6-methylpyridine (CID 118995492) is 2-bromo-3-(difluoromethoxy)-6-methylpyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethoxy)-6-methylpyridine?
The canonical SMILES for 2-bromo-3-(difluoromethoxy)-6-methylpyridine is Cc1ccc(OC(F)F)c(Br)n1.
What is the InChIKey of 2-bromo-3-(difluoromethoxy)-6-methylpyridine?
The InChIKey is TZVNOZDVOBQKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-4-2-3-5(6(8)11-4)12-7(9)10/h2-3,7H,1H3.
What are the key properties of 2-bromo-3-(difluoromethoxy)-6-methylpyridine?
2-bromo-3-(difluoromethoxy)-6-methylpyridine has a molecular weight of 238.03 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 2-bromo-3-(difluoromethoxy)-6-methylpyridine is sourced from PubChem (CID 118995492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).