5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C14H7ClN4O3 — CID 11209246

About 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 11209246) has the molecular formula C14H7ClN4O3 and a molecular weight of 314.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 11209246
• Molecular Formula: C14H7ClN4O3
• Molecular Weight: 314.69 g/mol
• Exact Mass: 314.02
• IUPAC Name: 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
• SMILES: N#Cc1c(-c2ccc(Cl)cc2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
• InChI: InChI=1S/C14H7ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)12(20)17-11-10(9)13(21)19-14(22)18-11/h1-4H,(H3,17,18,19,20,21,22)
• InChIKey: XNESWINHLONVQF-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 122.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.69
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 11209246) is 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O.

What is the InChIKey of 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is XNESWINHLONVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)12(20)17-11-10(9)13(21)19-14(22)18-11/h1-4H,(H3,17,18,19,20,21,22).

What are the key properties of 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?

5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 314.69 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 11209246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).