methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate

C8H7F2NO4 — CID 130100268

IUPACmethyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)F)c[nH]c(=O)c1O
InChIInChI=1S/C8H7F2NO4/c1-15-8(14)4-3(6(9)10)2-11-7(13)5(4)12/h2,6,12H,1H3,(H,11,13)
InChIKeyOTSUNSRQISPTLC-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.80
Rot. Bonds2

About methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate

methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 130100268) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
PubChem CID130100268
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Namemethyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)F)c[nH]c(=O)c1O
InChIInChI=1S/C8H7F2NO4/c1-15-8(14)4-3(6(9)10)2-11-7(13)5(4)12/h2,6,12H,1H3,(H,11,13)
InChIKeyOTSUNSRQISPTLC-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 3-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133103037
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
methyl 2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130085281
methyl 5-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carboxylate
CID 130083999
methyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106315
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
methyl 5-(difluoromethyl)-3-hydroxy-2-methoxypyridine-4-carboxylate
CID 133103370
ethyl 5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridine-4-carboxylate
CID 133103615
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
methyl 6-(difluoromethyl)-2,3-difluorobenzoate
CID 134648361
methyl 3-(bromomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 130084968
methyl 2-[5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridin-4-yl]acetate
CID 133103603

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate (CID 130100268) is methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate is COC(=O)c1c(C(F)F)c[nH]c(=O)c1O.
What is the InChIKey of methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is OTSUNSRQISPTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c1-15-8(14)4-3(6(9)10)2-11-7(13)5(4)12/h2,6,12H,1H3,(H,11,13).
What are the key properties of methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
methyl 5-(difluoromethyl)-3-hydroxy-2-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 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 130100268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).