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

C9H9F2NO4 — CID 133103363

IUPACmethyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)F)[nH]c(=O)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-6-4(9(14)16-2)3-5(7(10)11)12-8(6)13/h3,7H,1-2H3,(H,12,13)
InChIKeyXCJVKJSNHWKWSD-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.11
Rot. Bonds3

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

methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 133103363) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
PubChem CID133103363
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Namemethyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)F)[nH]c(=O)c1OC
InChIInChI=1S/C9H9F2NO4/c1-15-6-4(9(14)16-2)3-5(7(10)11)12-8(6)13/h3,7H,1-2H3,(H,12,13)
InChIKeyXCJVKJSNHWKWSD-UHFFFAOYSA-N
XLogP1.11
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130076967
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209
methyl 4-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130085314
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
ethyl 3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 134674785
methyl 6-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130110453
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130104944
methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130097202
methyl 2-(difluoromethyl)-3-fluoro-6-oxo-1H-pyridine-4-carboxylate
CID 130079678
methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 130100284
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578

Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate (CID 133103363) is methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(C(F)F)[nH]c(=O)c1OC.
What is the InChIKey of methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is XCJVKJSNHWKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c1-15-6-4(9(14)16-2)3-5(7(10)11)12-8(6)13/h3,7H,1-2H3,(H,12,13).
What are the key properties of methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 233.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 133103363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).