methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate

C8H7F2NO4 — CID 130100287

IUPACmethyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C8H7F2NO4/c1-15-8(14)3-2-11-4(7(9)10)6(13)5(3)12/h2,7,13H,1H3,(H,11,12)
InChIKeyDTKUASWFJKZKCC-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.80
Rot. Bonds2

About methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate

methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 130100287) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate
PubChem CID130100287
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Namemethyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C8H7F2NO4/c1-15-8(14)3-2-11-4(7(9)10)6(13)5(3)12/h2,7,13H,1H3,(H,11,12)
InChIKeyDTKUASWFJKZKCC-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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Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate (CID 130100287) is methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(C(F)F)c(O)c1=O.
What is the InChIKey of methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is DTKUASWFJKZKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c1-15-8(14)3-2-11-4(7(9)10)6(13)5(3)12/h2,7,13H,1H3,(H,11,12).
What are the key properties of methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate?
methyl 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-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 6-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 130100287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).