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

C9H7N3O5 — CID 134998317

IUPAC1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)O)c(=O)[nH]c21
InChIInChI=1S/C9H7N3O5/c1-12-5-3(6(13)11-9(12)17)2-4(8(15)16)7(14)10-5/h2H,1H3,(H,10,14)(H,15,16)(H,11,13,17)
InChIKeyHKDHPOXZYGYGQW-UHFFFAOYSA-N
MW237.17 g/mol
LogP-1.39
Rot. Bonds1

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

1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 134998317) has the molecular formula C9H7N3O5 and a molecular weight of 237.17 g/mol. Its IUPAC name is 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID134998317
Molecular FormulaC9H7N3O5
Molecular Weight237.17 g/mol
Exact Mass237.04
IUPAC Name1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)O)c(=O)[nH]c21
InChIInChI=1S/C9H7N3O5/c1-12-5-3(6(13)11-9(12)17)2-4(8(15)16)7(14)10-5/h2H,1H3,(H,10,14)(H,15,16)(H,11,13,17)
InChIKeyHKDHPOXZYGYGQW-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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 134998317) is 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is Cn1c(=O)[nH]c(=O)c2cc(C(=O)O)c(=O)[nH]c21.
What is the InChIKey of 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is HKDHPOXZYGYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O5/c1-12-5-3(6(13)11-9(12)17)2-4(8(15)16)7(14)10-5/h2H,1H3,(H,10,14)(H,15,16)(H,11,13,17).
What are the key properties of 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
1-methyl-2,4,7-trioxo-8H-pyrido[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 1-methyl-2,4,7-trioxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134998317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).