6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C14H9ClN2O2 — CID 2732497

IUPAC6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9ClN2O2/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14(17)19/h2-7H,1H3
InChIKeyRWNJIFKFNSGJKY-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.84
Rot. Bonds1

About 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 2732497) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID2732497
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9ClN2O2/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14(17)19/h2-7H,1H3
InChIKeyRWNJIFKFNSGJKY-UHFFFAOYSA-N
XLogP2.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 2732497) is 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is Cc1ccc(Cl)cc1N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is RWNJIFKFNSGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c1-8-4-5-9(15)7-11(8)17-13(18)10-3-2-6-16-12(10)14(17)19/h2-7H,1H3.
What are the key properties of 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 272.69 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 2732497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).