3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one

C10H8BrFN2O — CID 123672328

IUPAC3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C10H8BrFN2O/c1-2-7-9(11)10(15)14-5-6(12)3-4-8(14)13-7/h3-5H,2H2,1H3
InChIKeyKOTFFUIXUYFXGR-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.16
Rot. Bonds1

About 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one

3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 123672328) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID123672328
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C10H8BrFN2O/c1-2-7-9(11)10(15)14-5-6(12)3-4-8(14)13-7/h3-5H,2H2,1H3
InChIKeyKOTFFUIXUYFXGR-UHFFFAOYSA-N
XLogP2.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 123672328) is 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one is CCc1nc2ccc(F)cn2c(=O)c1Br.
What is the InChIKey of 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KOTFFUIXUYFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-2-7-9(11)10(15)14-5-6(12)3-4-8(14)13-7/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.09 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123672328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).