6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid

C9H7N3O3 — CID 83882174

IUPAC6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid
SMILESCn1cc(C(=O)O)c2ncncc2c1=O
InChIInChI=1S/C9H7N3O3/c1-12-3-6(9(14)15)7-5(8(12)13)2-10-4-11-7/h2-4H,1H3,(H,14,15)
InChIKeySGKNULOTDFOMIC-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.03
Rot. Bonds1

About 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid

6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid (PubChem CID 83882174) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid
PubChem CID83882174
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid
SMILESCn1cc(C(=O)O)c2ncncc2c1=O
InChIInChI=1S/C9H7N3O3/c1-12-3-6(9(14)15)7-5(8(12)13)2-10-4-11-7/h2-4H,1H3,(H,14,15)
InChIKeySGKNULOTDFOMIC-UHFFFAOYSA-N
XLogP0.03
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid?
The IUPAC name of 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid (CID 83882174) is 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid?
The canonical SMILES for 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid is Cn1cc(C(=O)O)c2ncncc2c1=O.
What is the InChIKey of 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid?
The InChIKey is SGKNULOTDFOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-12-3-6(9(14)15)7-5(8(12)13)2-10-4-11-7/h2-4H,1H3,(H,14,15).
What are the key properties of 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid?
6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-oxopyrido[4,3-d]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 83882174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).