6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine

C8H8BrF2NO — CID 58579513

IUPAC6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine
SMILESCc1cc(Br)nc(C)c1OC(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-3-6(9)12-5(2)7(4)13-8(10)11/h3,8H,1-2H3
InChIKeyHVYUMTFVACIQBI-UHFFFAOYSA-N
MW252.06 g/mol
LogP3.06
Rot. Bonds2

About 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine

6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine (PubChem CID 58579513) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine
PubChem CID58579513
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine
SMILESCc1cc(Br)nc(C)c1OC(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-3-6(9)12-5(2)7(4)13-8(10)11/h3,8H,1-2H3
InChIKeyHVYUMTFVACIQBI-UHFFFAOYSA-N
XLogP3.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 53.06
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 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine?
The IUPAC name of 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine (CID 58579513) is 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine.
What is the SMILES notation for 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine?
The canonical SMILES for 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine is Cc1cc(Br)nc(C)c1OC(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine?
The InChIKey is HVYUMTFVACIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-3-6(9)12-5(2)7(4)13-8(10)11/h3,8H,1-2H3.
What are the key properties of 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine?
6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine has a molecular weight of 252.06 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethoxy)-2,4-dimethylpyridine is sourced from PubChem (CID 58579513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).