5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine

C9H10N2S — CID 67227937

IUPAC5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCSc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H10N2S/c1-2-12-8-5-7-3-4-10-9(7)11-6-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyXLIUSBGRSSDWOB-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.67
Rot. Bonds2

About 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine

5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67227937) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID67227937
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCSc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H10N2S/c1-2-12-8-5-7-3-4-10-9(7)11-6-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyXLIUSBGRSSDWOB-UHFFFAOYSA-N
XLogP2.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine (CID 67227937) is 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine is CCSc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XLIUSBGRSSDWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-12-8-5-7-3-4-10-9(7)11-6-8/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine?
5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 178.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67227937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).