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

C9H8BrF2NO2 — CID 130069477

IUPACmethyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(Br)cc(C)nc1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-4-3-5(10)6(9(14)15-2)7(13-4)8(11)12/h3,8H,1-2H3
InChIKeySXLVCNMDJFZBNU-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.88
Rot. Bonds2

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

methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate (PubChem CID 130069477) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
PubChem CID130069477
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Namemethyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(Br)cc(C)nc1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-4-3-5(10)6(9(14)15-2)7(13-4)8(11)12/h3,8H,1-2H3
InChIKeySXLVCNMDJFZBNU-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

methyl 4-bromo-6-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 130069478
methyl 4-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095251
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
methyl 4-(aminomethyl)-6-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 134675417
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
methyl 2-bromo-4-(difluoromethyl)-6-fluorobenzoate
CID 131537933
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
methyl 5-bromo-2-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 134684442

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate (CID 130069477) is methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate is COC(=O)c1c(Br)cc(C)nc1C(F)F.
What is the InChIKey of methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is SXLVCNMDJFZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-4-3-5(10)6(9(14)15-2)7(13-4)8(11)12/h3,8H,1-2H3.
What are the key properties of methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate?
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-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 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 130069477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).