4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid

C9H10N2O3 — CID 83878712

IUPAC4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)C1CCn2c(nccc2=O)C1
InChIInChI=1S/C9H10N2O3/c12-8-1-3-10-7-5-6(9(13)14)2-4-11(7)8/h1,3,6H,2,4-5H2,(H,13,14)
InChIKeyFPOACQLDIWVKBX-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.11
Rot. Bonds1

About 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid

4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid (PubChem CID 83878712) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
PubChem CID83878712
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid
SMILESO=C(O)C1CCn2c(nccc2=O)C1
InChIInChI=1S/C9H10N2O3/c12-8-1-3-10-7-5-6(9(13)14)2-4-11(7)8/h1,3,6H,2,4-5H2,(H,13,14)
InChIKeyFPOACQLDIWVKBX-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid (CID 83878712) is 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid is O=C(O)C1CCn2c(nccc2=O)C1.
What is the InChIKey of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
The InChIKey is FPOACQLDIWVKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8-1-3-10-7-5-6(9(13)14)2-4-11(7)8/h1,3,6H,2,4-5H2,(H,13,14).
What are the key properties of 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid?
4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 83878712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).