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

C10H9BrN2O2 — CID 118617211

IUPAC7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C10H9BrN2O2/c1-2-15-8-5-12-9-4-3-7(11)6-13(9)10(8)14/h3-6H,2H2,1H3
InChIKeyNTJLZWRBDUOOFI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.86
Rot. Bonds2

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

7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 118617211) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID118617211
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C10H9BrN2O2/c1-2-15-8-5-12-9-4-3-7(11)6-13(9)10(8)14/h3-6H,2H2,1H3
InChIKeyNTJLZWRBDUOOFI-UHFFFAOYSA-N
XLogP1.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one (CID 118617211) is 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one is CCOc1cnc2ccc(Br)cn2c1=O.
What is the InChIKey of 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NTJLZWRBDUOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-8-5-12-9-4-3-7(11)6-13(9)10(8)14/h3-6H,2H2,1H3.
What are the key properties of 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 269.10 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118617211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).