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

C22H14N2O — CID 118719759

IUPAC4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H14N2O/c1-2-8-15(9-3-1)17-14-19(18-11-6-7-13-23-18)24-21-16-10-4-5-12-20(16)25-22(17)21/h1-14H
InChIKeyARPBZDNXNVZJNH-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.71
Rot. Bonds2

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

4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 118719759) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID118719759
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H14N2O/c1-2-8-15(9-3-1)17-14-19(18-11-6-7-13-23-18)24-21-16-10-4-5-12-20(16)25-22(17)21/h1-14H
InChIKeyARPBZDNXNVZJNH-UHFFFAOYSA-N
XLogP5.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine (CID 118719759) is 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-c3ccccn3)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ARPBZDNXNVZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c1-2-8-15(9-3-1)17-14-19(18-11-6-7-13-23-18)24-21-16-10-4-5-12-20(16)25-22(17)21/h1-14H.
What are the key properties of 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 322.37 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 118719759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).