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

C10H8N2O3 — CID 2800874

IUPAC8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccn2c(=O)c(C(=O)O)cnc2c1
InChIInChI=1S/C10H8N2O3/c1-6-2-3-12-8(4-6)11-5-7(9(12)13)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyVXWGYFKVZCOYCT-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.70
Rot. Bonds1

About 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 2800874) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID2800874
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1ccn2c(=O)c(C(=O)O)cnc2c1
InChIInChI=1S/C10H8N2O3/c1-6-2-3-12-8(4-6)11-5-7(9(12)13)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyVXWGYFKVZCOYCT-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 ≤ 500204.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 2800874) is 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is Cc1ccn2c(=O)c(C(=O)O)cnc2c1.
What is the InChIKey of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is VXWGYFKVZCOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6-2-3-12-8(4-6)11-5-7(9(12)13)10(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 204.18 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 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 2800874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).