methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate

C9H8BrF2NO2 — CID 130069488

IUPACmethyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)cc(C)c1Br
InChIInChI=1S/C9H8BrF2NO2/c1-4-3-5(8(11)12)13-7(6(4)10)9(14)15-2/h3,8H,1-2H3
InChIKeyQIIZSCRWESJQAD-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.88
Rot. Bonds2

About methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate

methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate (PubChem CID 130069488) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
PubChem CID130069488
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Namemethyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)cc(C)c1Br
InChIInChI=1S/C9H8BrF2NO2/c1-4-3-5(8(11)12)13-7(6(4)10)9(14)15-2/h3,8H,1-2H3
InChIKeyQIIZSCRWESJQAD-UHFFFAOYSA-N
XLogP2.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130069428
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130069571
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
methyl 4-bromo-6-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 130069478
methyl 4-amino-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130104973
methyl 4-(bromomethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130084975
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
methyl 2-bromo-6-(difluoromethyl)pyridine-4-carboxylate
CID 130095241
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
CID 133105053
methyl 3-bromo-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 130070767
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate (CID 130069488) is methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate is COC(=O)c1nc(C(F)F)cc(C)c1Br.
What is the InChIKey of methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate?
The InChIKey is QIIZSCRWESJQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-4-3-5(8(11)12)13-7(6(4)10)9(14)15-2/h3,8H,1-2H3.
What are the key properties of methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate?
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate has a molecular weight of 280.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 130069488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).