7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one

C10H8BrFN2O2 — CID 138958348

IUPAC7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(=O)n2cc(Br)cc(F)c2n1
InChIInChI=1S/C10H8BrFN2O2/c1-2-16-8-4-9(15)14-5-6(11)3-7(12)10(14)13-8/h3-5H,2H2,1H3
InChIKeyNQUWKYFEPFUPMG-UHFFFAOYSA-N
MW287.09 g/mol
LogP1.99
Rot. Bonds2

About 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one

7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 138958348) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID138958348
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cc(=O)n2cc(Br)cc(F)c2n1
InChIInChI=1S/C10H8BrFN2O2/c1-2-16-8-4-9(15)14-5-6(11)3-7(12)10(14)13-8/h3-5H,2H2,1H3
InChIKeyNQUWKYFEPFUPMG-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one (CID 138958348) is 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one is CCOc1cc(=O)n2cc(Br)cc(F)c2n1.
What is the InChIKey of 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NQUWKYFEPFUPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-2-16-8-4-9(15)14-5-6(11)3-7(12)10(14)13-8/h3-5H,2H2,1H3.
What are the key properties of 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.09 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethoxy-9-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138958348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).