2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

C14H9ClN2O2 — CID 20930750

IUPAC2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1c(Cl)cccc1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H9ClN2O2/c1-8-11(15)3-2-4-12(8)17-13(18)9-5-6-16-7-10(9)14(17)19/h2-7H,1H3
InChIKeyJLALNTKQNQRBFR-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.84
Rot. Bonds1

About 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 20930750) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID20930750
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1c(Cl)cccc1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H9ClN2O2/c1-8-11(15)3-2-4-12(8)17-13(18)9-5-6-16-7-10(9)14(17)19/h2-7H,1H3
InChIKeyJLALNTKQNQRBFR-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 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 20930750) is 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is Cc1c(Cl)cccc1N1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is JLALNTKQNQRBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c1-8-11(15)3-2-4-12(8)17-13(18)9-5-6-16-7-10(9)14(17)19/h2-7H,1H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-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 2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 20930750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).