2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione

C16H11N3O2 — CID 59186591

IUPAC2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione
SMILESCc1c[nH]c2ncc(N3C(=O)c4ccccc4C3=O)cc12
InChIInChI=1S/C16H11N3O2/c1-9-7-17-14-13(9)6-10(8-18-14)19-15(20)11-4-2-3-5-12(11)16(19)21/h2-8H,1H3,(H,17,18)
InChIKeySOAFQHSUIIMQNR-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.67
Rot. Bonds1

About 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione

2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione (PubChem CID 59186591) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione
PubChem CID59186591
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione
SMILESCc1c[nH]c2ncc(N3C(=O)c4ccccc4C3=O)cc12
InChIInChI=1S/C16H11N3O2/c1-9-7-17-14-13(9)6-10(8-18-14)19-15(20)11-4-2-3-5-12(11)16(19)21/h2-8H,1H3,(H,17,18)
InChIKeySOAFQHSUIIMQNR-UHFFFAOYSA-N
XLogP2.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione (CID 59186591) is 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione is Cc1c[nH]c2ncc(N3C(=O)c4ccccc4C3=O)cc12.
What is the InChIKey of 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione?
The InChIKey is SOAFQHSUIIMQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-9-7-17-14-13(9)6-10(8-18-14)19-15(20)11-4-2-3-5-12(11)16(19)21/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione?
2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione has a molecular weight of 277.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 59186591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).