9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

C10H8N2O3 — CID 16786081

IUPAC9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)O)cnc12
InChIInChI=1S/C10H8N2O3/c1-6-3-2-4-12-8(6)11-5-7(9(12)13)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyKIIPDQJOHVHFHP-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.70
Rot. Bonds1

About 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 16786081) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID16786081
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)O)cnc12
InChIInChI=1S/C10H8N2O3/c1-6-3-2-4-12-8(6)11-5-7(9(12)13)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyKIIPDQJOHVHFHP-UHFFFAOYSA-N
XLogP0.70
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 16786081) is 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is Cc1cccn2c(=O)c(C(=O)O)cnc12.
What is the InChIKey of 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is KIIPDQJOHVHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-3-2-4-12-8(6)11-5-7(9(12)13)10(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 16786081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).