2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid

C8H5N3O4 — CID 155978085

IUPAC2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cnc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H5N3O4/c12-6-5-4(10-8(15)11-6)1-3(2-9-5)7(13)14/h1-2H,(H,13,14)(H2,10,11,12,15)
InChIKeyVJJLASHODKICRF-UHFFFAOYSA-N
MW207.15 g/mol
LogP-0.69
Rot. Bonds1

About 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid

2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 155978085) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID155978085
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cnc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H5N3O4/c12-6-5-4(10-8(15)11-6)1-3(2-9-5)7(13)14/h1-2H,(H,13,14)(H2,10,11,12,15)
InChIKeyVJJLASHODKICRF-UHFFFAOYSA-N
XLogP-0.69
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid (CID 155978085) is 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid is O=C(O)c1cnc2c(=O)[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is VJJLASHODKICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-6-5-4(10-8(15)11-6)1-3(2-9-5)7(13)14/h1-2H,(H,13,14)(H2,10,11,12,15).
What are the key properties of 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid?
2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 207.15 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 155978085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).