ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate

C8H9FN2O3 — CID 141315241

IUPACethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(=O)n(N)c1
InChIInChI=1S/C8H9FN2O3/c1-2-14-8(13)5-3-6(9)7(12)11(10)4-5/h3-4H,2,10H2,1H3
InChIKeyBESHGDMTGPPLQC-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.12
Rot. Bonds2

About ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate

ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate (PubChem CID 141315241) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate
PubChem CID141315241
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Nameethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(=O)n(N)c1
InChIInChI=1S/C8H9FN2O3/c1-2-14-8(13)5-3-6(9)7(12)11(10)4-5/h3-4H,2,10H2,1H3
InChIKeyBESHGDMTGPPLQC-UHFFFAOYSA-N
XLogP-0.12
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate (CID 141315241) is ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate is CCOC(=O)c1cc(F)c(=O)n(N)c1.
What is the InChIKey of ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate?
The InChIKey is BESHGDMTGPPLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-2-14-8(13)5-3-6(9)7(12)11(10)4-5/h3-4H,2,10H2,1H3.
What are the key properties of ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate?
ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate has a molecular weight of 200.17 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-5-fluoro-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 141315241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).