3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

C9H7N3O5 — CID 134998104

IUPAC3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(=O)[nH]c2[nH]c(=O)c(C(=O)O)cc2c1=O
InChIInChI=1S/C9H7N3O5/c1-12-7(14)3-2-4(8(15)16)6(13)10-5(3)11-9(12)17/h2H,1H3,(H,15,16)(H2,10,11,13,17)
InChIKeyKHGPNBSNWGOOOS-UHFFFAOYSA-N
MW237.17 g/mol
LogP-1.39
Rot. Bonds1

About 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 134998104) has the molecular formula C9H7N3O5 and a molecular weight of 237.17 g/mol. Its IUPAC name is 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID134998104
Molecular FormulaC9H7N3O5
Molecular Weight237.17 g/mol
Exact Mass237.04
IUPAC Name3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(=O)[nH]c2[nH]c(=O)c(C(=O)O)cc2c1=O
InChIInChI=1S/C9H7N3O5/c1-12-7(14)3-2-4(8(15)16)6(13)10-5(3)11-9(12)17/h2H,1H3,(H,15,16)(H2,10,11,13,17)
InChIKeyKHGPNBSNWGOOOS-UHFFFAOYSA-N
XLogP-1.39
TPSA125.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 134998104) is 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is Cn1c(=O)[nH]c2[nH]c(=O)c(C(=O)O)cc2c1=O.
What is the InChIKey of 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is KHGPNBSNWGOOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O5/c1-12-7(14)3-2-4(8(15)16)6(13)10-5(3)11-9(12)17/h2H,1H3,(H,15,16)(H2,10,11,13,17).
What are the key properties of 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 237.17 g/mol, XLogP of -1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134998104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).