4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C14H10ClN3O3 — CID 169326967

IUPAC4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cc(Cl)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C14H10ClN3O3/c1-6-2-7(15)4-8(3-6)18-10(19)5-9-11(12(18)16)14(21)17-13(9)20/h2-5H,16H2,1H3,(H,17,20,21)
InChIKeySIULWOFFYAQIJE-UHFFFAOYSA-N
MW303.71 g/mol
LogP1.27
Rot. Bonds1

About 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169326967) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169326967
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cc(Cl)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1
InChIInChI=1S/C14H10ClN3O3/c1-6-2-7(15)4-8(3-6)18-10(19)5-9-11(12(18)16)14(21)17-13(9)20/h2-5H,16H2,1H3,(H,17,20,21)
InChIKeySIULWOFFYAQIJE-UHFFFAOYSA-N
XLogP1.27
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169326967) is 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Cc1cc(Cl)cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)c1.
What is the InChIKey of 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is SIULWOFFYAQIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c1-6-2-7(15)4-8(3-6)18-10(19)5-9-11(12(18)16)14(21)17-13(9)20/h2-5H,16H2,1H3,(H,17,20,21).
What are the key properties of 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 303.71 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169326967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).