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

C9H9F2NO3 — CID 130084011

IUPACmethyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ncc(O)c1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-4-6(9(14)15-2)7(8(10)11)5(13)3-12-4/h3,8,13H,1-2H3
InChIKeySSWUEFQEJHHRQC-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.82
Rot. Bonds2

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

methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate (PubChem CID 130084011) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
PubChem CID130084011
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Namemethyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ncc(O)c1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-4-6(9(14)15-2)7(8(10)11)5(13)3-12-4/h3,8,13H,1-2H3
InChIKeySSWUEFQEJHHRQC-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-methylpyridine-4-carboxylate
CID 130083999
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
CID 130083946
methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133099916
methyl 2-chloro-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 130074412
methyl 3-cyano-4-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 130076940
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660809
methyl 5-amino-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 130102197

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate (CID 130084011) is methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate is COC(=O)c1c(C)ncc(O)c1C(F)F.
What is the InChIKey of methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate?
The InChIKey is SSWUEFQEJHHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-4-6(9(14)15-2)7(8(10)11)5(13)3-12-4/h3,8,13H,1-2H3.
What are the key properties of methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate?
methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-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 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 130084011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).