4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine

C8H8BrF2NO — CID 118817420

IUPAC4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
SMILESCOc1ncc(C)c(Br)c1C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-3-12-8(13-2)5(6(4)9)7(10)11/h3,7H,1-2H3
InChIKeyWYAAMYOTFRDRCA-UHFFFAOYSA-N
MW252.06 g/mol
LogP3.10
Rot. Bonds2

About 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine

4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine (PubChem CID 118817420) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
PubChem CID118817420
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
SMILESCOc1ncc(C)c(Br)c1C(F)F
InChIInChI=1S/C8H8BrF2NO/c1-4-3-12-8(13-2)5(6(4)9)7(10)11/h3,7H,1-2H3
InChIKeyWYAAMYOTFRDRCA-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
4-bromo-2-methoxy-3,5-dimethylpyridine
CID 67811684
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945
3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
CID 130088007
[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068718
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine
CID 163293521
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine?
The IUPAC name of 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine (CID 118817420) is 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine is COc1ncc(C)c(Br)c1C(F)F.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine?
The InChIKey is WYAAMYOTFRDRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-3-12-8(13-2)5(6(4)9)7(10)11/h3,7H,1-2H3.
What are the key properties of 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine?
4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine has a molecular weight of 252.06 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine is sourced from PubChem (CID 118817420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).