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

C9H9F2NO4 — CID 133093299

IUPACethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)[nH]c(=O)c1O
InChIInChI=1S/C9H9F2NO4/c1-2-16-9(15)4-3-5(7(10)11)12-8(14)6(4)13/h3,7,13H,2H2,1H3,(H,12,14)
InChIKeyOITZTOVVELFMOI-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.19
Rot. Bonds3

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

ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 133093299) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
PubChem CID133093299
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Nameethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)[nH]c(=O)c1O
InChIInChI=1S/C9H9F2NO4/c1-2-16-9(15)4-3-5(7(10)11)12-8(14)6(4)13/h3,7,13H,2H2,1H3,(H,12,14)
InChIKeyOITZTOVVELFMOI-UHFFFAOYSA-N
XLogP1.19
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 134674785
ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 133103413
ethyl 6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134664536
ethyl 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133093415
ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 135741598
ethyl 3-(difluoromethyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 135201369
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103363
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridine-3-carboxylate
CID 133103109
ethyl 4-(difluoromethyl)-2-hydroxy-3-methylbenzoate
CID 118496136
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate (CID 133093299) is ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(C(F)F)[nH]c(=O)c1O.
What is the InChIKey of ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is OITZTOVVELFMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-2-16-9(15)4-3-5(7(10)11)12-8(14)6(4)13/h3,7,13H,2H2,1H3,(H,12,14).
What are the key properties of ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate?
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 233.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 133093299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).