2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

C17H11ClN2O2S — CID 66633347

IUPAC2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(c1cnc2sc(Cl)cc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClN2O2S/c1-9(11-6-10-7-14(18)23-15(10)19-8-11)20-16(21)12-4-2-3-5-13(12)17(20)22/h2-9H,1H3
InChIKeyQWWFERSQOBAUOO-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.31
Rot. Bonds2

About 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione

2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (PubChem CID 66633347) has the molecular formula C17H11ClN2O2S and a molecular weight of 342.81 g/mol. Its IUPAC name is 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
PubChem CID66633347
Molecular FormulaC17H11ClN2O2S
Molecular Weight342.81 g/mol
Exact Mass342.02
IUPAC Name2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione
SMILESCC(c1cnc2sc(Cl)cc2c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11ClN2O2S/c1-9(11-6-10-7-14(18)23-15(10)19-8-11)20-16(21)12-4-2-3-5-13(12)17(20)22/h2-9H,1H3
InChIKeyQWWFERSQOBAUOO-UHFFFAOYSA-N
XLogP4.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione (CID 66633347) is 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is CC(c1cnc2sc(Cl)cc2c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
The InChIKey is QWWFERSQOBAUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S/c1-9(11-6-10-7-14(18)23-15(10)19-8-11)20-16(21)12-4-2-3-5-13(12)17(20)22/h2-9H,1H3.
What are the key properties of 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione?
2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione has a molecular weight of 342.81 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorothieno[2,3-b]pyridin-5-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 66633347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).