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

C8H8BrF2NO — CID 86686347

IUPAC3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine
SMILESCc1cc(OC(F)F)nc(C)c1Br
InChIInChI=1S/C8H8BrF2NO/c1-4-3-6(13-8(10)11)12-5(2)7(4)9/h3,8H,1-2H3
InChIKeyRRIKFTPJUWPPLT-UHFFFAOYSA-N
MW252.06 g/mol
LogP3.06
Rot. Bonds2

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

3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine (PubChem CID 86686347) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine
PubChem CID86686347
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine
SMILESCc1cc(OC(F)F)nc(C)c1Br
InChIInChI=1S/C8H8BrF2NO/c1-4-3-6(13-8(10)11)12-5(2)7(4)9/h3,8H,1-2H3
InChIKeyRRIKFTPJUWPPLT-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

Analyze 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine?
The IUPAC name of 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine (CID 86686347) is 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine.
What is the SMILES notation for 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine?
The canonical SMILES for 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine is Cc1cc(OC(F)F)nc(C)c1Br.
What is the InChIKey of 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine?
The InChIKey is RRIKFTPJUWPPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-3-6(13-8(10)11)12-5(2)7(4)9/h3,8H,1-2H3.
What are the key properties of 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine?
3-bromo-6-(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 3-bromo-6-(difluoromethoxy)-2,4-dimethylpyridine is sourced from PubChem (CID 86686347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).