9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C9H5FN2O3 — CID 115025653

IUPAC9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2cccc(F)c2n1
InChIInChI=1S/C9H5FN2O3/c10-5-2-1-3-12-7(13)4-6(9(14)15)11-8(5)12/h1-4H,(H,14,15)
InChIKeyLMIILZFZLISEPN-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.53
Rot. Bonds1

About 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 115025653) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID115025653
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2cccc(F)c2n1
InChIInChI=1S/C9H5FN2O3/c10-5-2-1-3-12-7(13)4-6(9(14)15)11-8(5)12/h1-4H,(H,14,15)
InChIKeyLMIILZFZLISEPN-UHFFFAOYSA-N
XLogP0.53
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 115025653) is 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc(=O)n2cccc(F)c2n1.
What is the InChIKey of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is LMIILZFZLISEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-5-2-1-3-12-7(13)4-6(9(14)15)11-8(5)12/h1-4H,(H,14,15).
What are the key properties of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115025653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).