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

C9H10F2N2O3 — CID 133093417

IUPACethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)[nH]c(=O)c1N
InChIInChI=1S/C9H10F2N2O3/c1-2-16-9(15)4-3-5(7(10)11)13-8(14)6(4)12/h3,7H,2,12H2,1H3,(H,13,14)
InChIKeyPZRFRMOQVZYGIW-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.07
Rot. Bonds3

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

ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 133093417) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
PubChem CID133093417
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Nameethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)[nH]c(=O)c1N
InChIInChI=1S/C9H10F2N2O3/c1-2-16-9(15)4-3-5(7(10)11)13-8(14)6(4)12/h3,7H,2,12H2,1H3,(H,13,14)
InChIKeyPZRFRMOQVZYGIW-UHFFFAOYSA-N
XLogP1.07
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-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 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate (CID 133093417) is ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(C(F)F)[nH]c(=O)c1N.
What is the InChIKey of ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is PZRFRMOQVZYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-2-16-9(15)4-3-5(7(10)11)13-8(14)6(4)12/h3,7H,2,12H2,1H3,(H,13,14).
What are the key properties of ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate?
ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 232.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 133093417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).