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

C10H11F2NO3 — CID 133103413

IUPACethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c(=O)c1C(F)F
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(15)6-4-5(2)13-9(14)7(6)8(11)12/h4,8H,3H2,1-2H3,(H,13,14)
InChIKeyZCGQURWZMGOYBQ-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.80
Rot. Bonds3

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

ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 133103413) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
PubChem CID133103413
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c(=O)c1C(F)F
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(15)6-4-5(2)13-9(14)7(6)8(11)12/h4,8H,3H2,1-2H3,(H,13,14)
InChIKeyZCGQURWZMGOYBQ-UHFFFAOYSA-N
XLogP1.80
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021
ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 177137135
ethyl 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 134684512
ethyl 3-(difluoromethyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 135201369
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130104944
ethyl 3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 134674785
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
4-amino-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 118823289
ethyl 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134667746
ethyl 5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridine-3-carboxylate
CID 133103109
diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
CID 3810203

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate (CID 133103413) is ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(C)[nH]c(=O)c1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is ZCGQURWZMGOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-3-16-10(15)6-4-5(2)13-9(14)7(6)8(11)12/h4,8H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 231.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 133103413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).