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

C10H11F2NO3 — CID 133103325

IUPACethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(15)7-5(2)13-4-6(8(7)14)9(11)12/h4,9H,3H2,1-2H3,(H,13,14)
InChIKeySIWJIGPWQREPEV-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.80
Rot. Bonds3

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

ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 133103325) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate
PubChem CID133103325
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(15)7-5(2)13-4-6(8(7)14)9(11)12/h4,9H,3H2,1-2H3,(H,13,14)
InChIKeySIWJIGPWQREPEV-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-cyano-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134662550
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
ethyl 5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridine-4-carboxylate
CID 133103615
ethyl 5-(difluoromethyl)-4-nitro-2-oxo-1H-pyridine-3-carboxylate
CID 133102808
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
methyl 2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130085281
ethyl 2-cyano-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 134673857
ethyl 2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 133093183
ethyl 2-[3-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134684068
ethyl 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxylate
CID 133106172
ethyl 6-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134667746

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 133103325) is ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]cc(C(F)F)c1=O.
What is the InChIKey of ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is SIWJIGPWQREPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-3-16-10(15)7-5(2)13-4-6(8(7)14)9(11)12/h4,9H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-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 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133103325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).