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

C14H7ClN4O3 — CID 11255489

IUPAC5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
InChIInChI=1S/C14H7ClN4O3/c15-7-3-1-2-6(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)
InChIKeyOLAIUOJBVWWLOO-UHFFFAOYSA-N
MW314.69 g/mol
LogP1.10
Rot. Bonds1

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

5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 11255489) has the molecular formula C14H7ClN4O3 and a molecular weight of 314.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID11255489
Molecular FormulaC14H7ClN4O3
Molecular Weight314.69 g/mol
Exact Mass314.02
IUPAC Name5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
InChIInChI=1S/C14H7ClN4O3/c15-7-3-1-2-6(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)
InChIKeyOLAIUOJBVWWLOO-UHFFFAOYSA-N
XLogP1.10
TPSA122.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 11255489) is 5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1c(-c2cccc(Cl)c2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O.
What is the InChIKey of 5-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is OLAIUOJBVWWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4O3/c15-7-3-1-2-6(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-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
5-(3-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-(3-chlorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 11255489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).