6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione

C14H9ClN2O2 — CID 4229988

IUPAC6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(17)19/h1-7H,8H2
InChIKeyHHOKMNXOLOJYJR-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.53
Rot. Bonds2

About 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 4229988) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID4229988
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(17)19/h1-7H,8H2
InChIKeyHHOKMNXOLOJYJR-UHFFFAOYSA-N
XLogP2.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.53
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-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 4229988) is 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is HHOKMNXOLOJYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(17)19/h1-7H,8H2.
What are the key properties of 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 272.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 4229988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).