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

C10H11F2NO3 — CID 133103423

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

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

ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 133103423) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID133103423
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)c(C)c[nH]c1=O
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(15)7-6(8(11)12)5(2)4-13-9(7)14/h4,8H,3H2,1-2H3,(H,13,14)
InChIKeyGTLFKBATEHGGDU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 133103423) is ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)c(C)c[nH]c1=O.
What is the InChIKey of ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is GTLFKBATEHGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-3-16-10(15)7-6(8(11)12)5(2)4-13-9(7)14/h4,8H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-(difluoromethyl)-5-methyl-2-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 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133103423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).