3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine

C21H12FNOS — CID 162719924

IUPAC3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccs1
InChIInChI=1S/C21H12FNOS/c22-18-17(16-11-6-12-25-16)21-20(14-9-4-5-10-15(14)24-21)23-19(18)13-7-2-1-3-8-13/h1-12H
InChIKeyKBACUDJBMGYIJU-UHFFFAOYSA-N
MW345.40 g/mol
LogP6.52
Rot. Bonds2

About 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine

3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 162719924) has the molecular formula C21H12FNOS and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID162719924
Molecular FormulaC21H12FNOS
Molecular Weight345.40 g/mol
Exact Mass345.06
IUPAC Name3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESFc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccs1
InChIInChI=1S/C21H12FNOS/c22-18-17(16-11-6-12-25-16)21-20(14-9-4-5-10-15(14)24-21)23-19(18)13-7-2-1-3-8-13/h1-12H
InChIKeyKBACUDJBMGYIJU-UHFFFAOYSA-N
XLogP6.52
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine (CID 162719924) is 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine is Fc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccs1.
What is the InChIKey of 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is KBACUDJBMGYIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FNOS/c22-18-17(16-11-6-12-25-16)21-20(14-9-4-5-10-15(14)24-21)23-19(18)13-7-2-1-3-8-13/h1-12H.
What are the key properties of 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine?
3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 345.40 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenyl-4-thiophen-2-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 162719924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).