3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine

C19H15FN2OS — CID 11473204

IUPAC3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(CSCc3ccco3)[nH]c3ncccc23)cc1
InChIInChI=1S/C19H15FN2OS/c20-14-7-5-13(6-8-14)18-16-4-1-9-21-19(16)22-17(18)12-24-11-15-3-2-10-23-15/h1-10H,11-12H2,(H,21,22)
InChIKeyADYSJVLBLVBSCY-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.40
Rot. Bonds5

About 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine

3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11473204) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID11473204
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(CSCc3ccco3)[nH]c3ncccc23)cc1
InChIInChI=1S/C19H15FN2OS/c20-14-7-5-13(6-8-14)18-16-4-1-9-21-19(16)22-17(18)12-24-11-15-3-2-10-23-15/h1-10H,11-12H2,(H,21,22)
InChIKeyADYSJVLBLVBSCY-UHFFFAOYSA-N
XLogP5.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 11473204) is 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2c(CSCc3ccco3)[nH]c3ncccc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ADYSJVLBLVBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c20-14-7-5-13(6-8-14)18-16-4-1-9-21-19(16)22-17(18)12-24-11-15-3-2-10-23-15/h1-10H,11-12H2,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine?
3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 338.41 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11473204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).