8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C9H5ClN2O3 — CID 115034766

IUPAC8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2ccc(Cl)cc2n1
InChIInChI=1S/C9H5ClN2O3/c10-5-1-2-12-7(3-5)11-6(9(14)15)4-8(12)13/h1-4H,(H,14,15)
InChIKeyMIIFKTITVSBXOV-UHFFFAOYSA-N
MW224.60 g/mol
LogP1.05
Rot. Bonds1

About 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 115034766) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID115034766
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2ccc(Cl)cc2n1
InChIInChI=1S/C9H5ClN2O3/c10-5-1-2-12-7(3-5)11-6(9(14)15)4-8(12)13/h1-4H,(H,14,15)
InChIKeyMIIFKTITVSBXOV-UHFFFAOYSA-N
XLogP1.05
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 115034766) is 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc(=O)n2ccc(Cl)cc2n1.
What is the InChIKey of 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is MIIFKTITVSBXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-5-1-2-12-7(3-5)11-6(9(14)15)4-8(12)13/h1-4H,(H,14,15).
What are the key properties of 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 224.60 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 115034766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).