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

C10H11F2NO4 — CID 133103174

IUPACethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1c(C(F)F)c[nH]c(=O)c1OC
InChIInChI=1S/C10H11F2NO4/c1-3-17-10(15)6-5(8(11)12)4-13-9(14)7(6)16-2/h4,8H,3H2,1-2H3,(H,13,14)
InChIKeyMNHABBOIJHJNET-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.50
Rot. Bonds4

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

ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 133103174) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
PubChem CID133103174
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Nameethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1c(C(F)F)c[nH]c(=O)c1OC
InChIInChI=1S/C10H11F2NO4/c1-3-17-10(15)6-5(8(11)12)4-13-9(14)7(6)16-2/h4,8H,3H2,1-2H3,(H,13,14)
InChIKeyMNHABBOIJHJNET-UHFFFAOYSA-N
XLogP1.50
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridine-4-carboxylate
CID 133103615
ethyl 5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 133103325
ethyl 5-(difluoromethyl)-4-nitro-2-oxo-1H-pyridine-3-carboxylate
CID 133102808
ethyl 2-cyano-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134662550
ethyl 2-bromo-5-(difluoromethyl)-3-methoxypyridine-4-carboxylate
CID 134685048
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
methyl 3-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133103037
ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
CID 134665731
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 130100268
ethyl 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103382

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate (CID 133103174) is ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1c(C(F)F)c[nH]c(=O)c1OC.
What is the InChIKey of ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is MNHABBOIJHJNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-3-17-10(15)6-5(8(11)12)4-13-9(14)7(6)16-2/h4,8H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate?
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 247.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 133103174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).