7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one

C8H5FN2O2 — CID 136629818

IUPAC7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2ccc(F)cn12
InChIInChI=1S/C8H5FN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H
InChIKeyIJPUKUSYXQAGHU-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.54
Rot. Bonds

About 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 136629818) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID136629818
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2ccc(F)cn12
InChIInChI=1S/C8H5FN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H
InChIKeyIJPUKUSYXQAGHU-UHFFFAOYSA-N
XLogP0.54
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 136629818) is 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1cc(O)nc2ccc(F)cn12.
What is the InChIKey of 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IJPUKUSYXQAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H.
What are the key properties of 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 180.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136629818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).