ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C11H9FN2O3 — CID 102144488

IUPACethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C11H9FN2O3/c1-2-17-11(16)8-5-10(15)14-6-7(12)3-4-9(14)13-8/h3-6H,2H2,1H3
InChIKeyZQAWTZSDZJDZJB-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.01
Rot. Bonds2

About ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 102144488) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID102144488
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Nameethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C11H9FN2O3/c1-2-17-11(16)8-5-10(15)14-6-7(12)3-4-9(14)13-8/h3-6H,2H2,1H3
InChIKeyZQAWTZSDZJDZJB-UHFFFAOYSA-N
XLogP1.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 102144488) is ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is ZQAWTZSDZJDZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-2-17-11(16)8-5-10(15)14-6-7(12)3-4-9(14)13-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 236.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 102144488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).