2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine

C21H13NO2 — CID 118719760

IUPAC2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccco3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C21H13NO2/c1-2-7-14(8-3-1)16-13-17(19-11-6-12-23-19)22-20-15-9-4-5-10-18(15)24-21(16)20/h1-13H
InChIKeySNFQUEHWNGZTBS-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.91
Rot. Bonds2

About 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine

2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 118719760) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine
PubChem CID118719760
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccco3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C21H13NO2/c1-2-7-14(8-3-1)16-13-17(19-11-6-12-23-19)22-20-15-9-4-5-10-18(15)24-21(16)20/h1-13H
InChIKeySNFQUEHWNGZTBS-UHFFFAOYSA-N
XLogP5.91
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine (CID 118719760) is 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-c3ccco3)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is SNFQUEHWNGZTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c1-2-7-14(8-3-1)16-13-17(19-11-6-12-23-19)22-20-15-9-4-5-10-18(15)24-21(16)20/h1-13H.
What are the key properties of 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine?
2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 311.34 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-phenyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 118719760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).