4-benzo[e][1]benzofuran-2-ylpyridine

C17H11NO — CID 23312268

IUPAC4-benzo[e][1]benzofuran-2-ylpyridine
SMILESc1ccc2c(c1)ccc1oc(-c3ccncc3)cc12
InChIInChI=1S/C17H11NO/c1-2-4-14-12(3-1)5-6-16-15(14)11-17(19-16)13-7-9-18-10-8-13/h1-11H
InChIKeyIMMWZEMRTKOLTN-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.65
Rot. Bonds1

About 4-benzo[e][1]benzofuran-2-ylpyridine

4-benzo[e][1]benzofuran-2-ylpyridine (PubChem CID 23312268) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-benzo[e][1]benzofuran-2-ylpyridine.

Molecular Properties

Compound Name4-benzo[e][1]benzofuran-2-ylpyridine
PubChem CID23312268
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name4-benzo[e][1]benzofuran-2-ylpyridine
SMILESc1ccc2c(c1)ccc1oc(-c3ccncc3)cc12
InChIInChI=1S/C17H11NO/c1-2-4-14-12(3-1)5-6-16-15(14)11-17(19-16)13-7-9-18-10-8-13/h1-11H
InChIKeyIMMWZEMRTKOLTN-UHFFFAOYSA-N
XLogP4.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzo[e][1]benzofuran-2-ylpyridine?
The IUPAC name of 4-benzo[e][1]benzofuran-2-ylpyridine (CID 23312268) is 4-benzo[e][1]benzofuran-2-ylpyridine.
What is the SMILES notation for 4-benzo[e][1]benzofuran-2-ylpyridine?
The canonical SMILES for 4-benzo[e][1]benzofuran-2-ylpyridine is c1ccc2c(c1)ccc1oc(-c3ccncc3)cc12.
What is the InChIKey of 4-benzo[e][1]benzofuran-2-ylpyridine?
The InChIKey is IMMWZEMRTKOLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c1-2-4-14-12(3-1)5-6-16-15(14)11-17(19-16)13-7-9-18-10-8-13/h1-11H.
What are the key properties of 4-benzo[e][1]benzofuran-2-ylpyridine?
4-benzo[e][1]benzofuran-2-ylpyridine has a molecular weight of 245.28 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[e][1]benzofuran-2-ylpyridine is sourced from PubChem (CID 23312268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).