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

C9H5FN2O3 — CID 115025651

IUPAC7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C9H5FN2O3/c10-5-1-2-7-11-6(9(14)15)3-8(13)12(7)4-5/h1-4H,(H,14,15)
InChIKeyPNKAWBKEOWYZFR-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.53
Rot. Bonds1

About 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 115025651) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID115025651
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C9H5FN2O3/c10-5-1-2-7-11-6(9(14)15)3-8(13)12(7)4-5/h1-4H,(H,14,15)
InChIKeyPNKAWBKEOWYZFR-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 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 115025651) is 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is PNKAWBKEOWYZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-5-1-2-7-11-6(9(14)15)3-8(13)12(7)4-5/h1-4H,(H,14,15).
What are the key properties of 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
7-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 7-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115025651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).