7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one

C11H10BrFN2O2 — CID 155091665

IUPAC7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(Br)cn2c(=O)c1OC
InChIInChI=1S/C11H10BrFN2O2/c1-3-8-9(17-2)11(16)15-5-6(12)4-7(13)10(15)14-8/h4-5H,3H2,1-2H3
InChIKeyUNBMCBJRLZWVHJ-UHFFFAOYSA-N
MW301.12 g/mol
LogP2.17
Rot. Bonds2

About 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one

7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 155091665) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID155091665
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(Br)cn2c(=O)c1OC
InChIInChI=1S/C11H10BrFN2O2/c1-3-8-9(17-2)11(16)15-5-6(12)4-7(13)10(15)14-8/h4-5H,3H2,1-2H3
InChIKeyUNBMCBJRLZWVHJ-UHFFFAOYSA-N
XLogP2.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one (CID 155091665) is 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one is CCc1nc2c(F)cc(Br)cn2c(=O)c1OC.
What is the InChIKey of 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UNBMCBJRLZWVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-3-8-9(17-2)11(16)15-5-6(12)4-7(13)10(15)14-8/h4-5H,3H2,1-2H3.
What are the key properties of 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 301.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-9-fluoro-3-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155091665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).