methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate

C9H9F2NO3 — CID 130083999

IUPACmethyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)F)cnc(C)c1O
InChIInChI=1S/C9H9F2NO3/c1-4-7(13)6(9(14)15-2)5(3-12-4)8(10)11/h3,8,13H,1-2H3
InChIKeyBFIBFDNDIDZBEX-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.82
Rot. Bonds2

About methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate

methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate (PubChem CID 130083999) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
PubChem CID130083999
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Namemethyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)F)cnc(C)c1O
InChIInChI=1S/C9H9F2NO3/c1-4-7(13)6(9(14)15-2)5(3-12-4)8(10)11/h3,8,13H,1-2H3
InChIKeyBFIBFDNDIDZBEX-UHFFFAOYSA-N
XLogP1.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
methyl 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593
methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
CID 130084011
methyl 5-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 130080332
methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130106595
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 130100268
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
methyl 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130090206
methyl 2-(bromomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 130087266

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate (CID 130083999) is methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate is COC(=O)c1c(C(F)F)cnc(C)c1O.
What is the InChIKey of methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate?
The InChIKey is BFIBFDNDIDZBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-4-7(13)6(9(14)15-2)5(3-12-4)8(10)11/h3,8,13H,1-2H3.
What are the key properties of methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate?
methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate has a molecular weight of 217.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate is sourced from PubChem (CID 130083999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).