2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine

C15H13FN2S — CID 71013627

IUPAC2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine
SMILESCCc1cc2cc(-c3cccc(F)c3)cnc2n1S
InChIInChI=1S/C15H13FN2S/c1-2-14-8-11-6-12(9-17-15(11)18(14)19)10-4-3-5-13(16)7-10/h3-9,19H,2H2,1H3
InChIKeyWZCQLNJZEZMWFT-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.10
Rot. Bonds2

About 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine

2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine (PubChem CID 71013627) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine
PubChem CID71013627
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine
SMILESCCc1cc2cc(-c3cccc(F)c3)cnc2n1S
InChIInChI=1S/C15H13FN2S/c1-2-14-8-11-6-12(9-17-15(11)18(14)19)10-4-3-5-13(16)7-10/h3-9,19H,2H2,1H3
InChIKeyWZCQLNJZEZMWFT-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The IUPAC name of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine (CID 71013627) is 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine is CCc1cc2cc(-c3cccc(F)c3)cnc2n1S.
What is the InChIKey of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The InChIKey is WZCQLNJZEZMWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-2-14-8-11-6-12(9-17-15(11)18(14)19)10-4-3-5-13(16)7-10/h3-9,19H,2H2,1H3.
What are the key properties of 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine?
2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine has a molecular weight of 272.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71013627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).