methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

C8H7F2NO4 — CID 130100284

IUPACmethyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(O)c1C(F)F
InChIInChI=1S/C8H7F2NO4/c1-15-8(14)3-2-4(12)11-7(13)5(3)6(9)10/h2,6H,1H3,(H2,11,12,13)
InChIKeyHQNWGOLZFXGTQY-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.80
Rot. Bonds2

About methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 130100284) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID130100284
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Namemethyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(O)c1C(F)F
InChIInChI=1S/C8H7F2NO4/c1-15-8(14)3-2-4(12)11-7(13)5(3)6(9)10/h2,6H,1H3,(H2,11,12,13)
InChIKeyHQNWGOLZFXGTQY-UHFFFAOYSA-N
XLogP0.80
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate
CID 130079678
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130104944
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130097202
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
methyl 5-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carboxylate
CID 130082917
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103363
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
methyl 2-(aminomethyl)-6-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134685150

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (CID 130100284) is methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(=O)[nH]c(O)c1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is HQNWGOLZFXGTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c1-15-8(14)3-2-4(12)11-7(13)5(3)6(9)10/h2,6H,1H3,(H2,11,12,13).
What are the key properties of methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 219.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 130100284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).