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

C8H4BrFN2O — CID 118617160

IUPAC7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(F)cnc2ccc(Br)cn12
InChIInChI=1S/C8H4BrFN2O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H
InChIKeyRTLIYKHJZAFKOT-UHFFFAOYSA-N
MW243.03 g/mol
LogP1.60
Rot. Bonds

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

7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 118617160) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID118617160
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(F)cnc2ccc(Br)cn12
InChIInChI=1S/C8H4BrFN2O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H
InChIKeyRTLIYKHJZAFKOT-UHFFFAOYSA-N
XLogP1.60
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one (CID 118617160) is 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one is O=c1c(F)cnc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RTLIYKHJZAFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-5-1-2-7-11-3-6(10)8(13)12(7)4-5/h1-4H.
What are the key properties of 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.03 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118617160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).