1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C13H8ClN3O2 — CID 12760281

IUPAC1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2ncccc12
InChIInChI=1S/C13H8ClN3O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)12(18)16-13(17)19/h1-7H,(H,16,18,19)
InChIKeyQXNIVDACUCADNC-UHFFFAOYSA-N
MW273.68 g/mol
LogP1.73
Rot. Bonds1

About 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 12760281) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID12760281
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2ncccc12
InChIInChI=1S/C13H8ClN3O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)12(18)16-13(17)19/h1-7H,(H,16,18,19)
InChIKeyQXNIVDACUCADNC-UHFFFAOYSA-N
XLogP1.73
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 12760281) is 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2ncccc12.
What is the InChIKey of 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QXNIVDACUCADNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)12(18)16-13(17)19/h1-7H,(H,16,18,19).
What are the key properties of 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 273.68 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12760281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).