7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid

C11H10ClN3O4 — CID 70684137

IUPAC7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(Cl)nc21
InChIInChI=1S/C11H10ClN3O4/c1-2-3-15-8-7(9(16)14-11(15)19)5(10(17)18)4-6(12)13-8/h4H,2-3H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyRLAGPBMXZWUQHP-UHFFFAOYSA-N
MW283.67 g/mol
LogP0.85
Rot. Bonds3

About 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid

7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 70684137) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID70684137
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(Cl)nc21
InChIInChI=1S/C11H10ClN3O4/c1-2-3-15-8-7(9(16)14-11(15)19)5(10(17)18)4-6(12)13-8/h4H,2-3H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyRLAGPBMXZWUQHP-UHFFFAOYSA-N
XLogP0.85
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid (CID 70684137) is 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid is CCCn1c(=O)[nH]c(=O)c2c(C(=O)O)cc(Cl)nc21.
What is the InChIKey of 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is RLAGPBMXZWUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c1-2-3-15-8-7(9(16)14-11(15)19)5(10(17)18)4-6(12)13-8/h4H,2-3H2,1H3,(H,17,18)(H,14,16,19).
What are the key properties of 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid?
7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 283.67 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 70684137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).