4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine

C18H13NO2 — CID 45482767

IUPAC4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine
SMILESCc1ccc(-c2ccc3occ(-c4ccncc4)c3c2)o1
InChIInChI=1S/C18H13NO2/c1-12-2-4-17(21-12)14-3-5-18-15(10-14)16(11-20-18)13-6-8-19-9-7-13/h2-11H,1H3
InChIKeyFHOAAPMUJABWIL-UHFFFAOYSA-N
MW275.31 g/mol
LogP5.06
Rot. Bonds2

About 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine

4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine (PubChem CID 45482767) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine
PubChem CID45482767
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine
SMILESCc1ccc(-c2ccc3occ(-c4ccncc4)c3c2)o1
InChIInChI=1S/C18H13NO2/c1-12-2-4-17(21-12)14-3-5-18-15(10-14)16(11-20-18)13-6-8-19-9-7-13/h2-11H,1H3
InChIKeyFHOAAPMUJABWIL-UHFFFAOYSA-N
XLogP5.06
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.31
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine?
The IUPAC name of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine (CID 45482767) is 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine.
What is the SMILES notation for 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine?
The canonical SMILES for 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine is Cc1ccc(-c2ccc3occ(-c4ccncc4)c3c2)o1.
What is the InChIKey of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine?
The InChIKey is FHOAAPMUJABWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-12-2-4-17(21-12)14-3-5-18-15(10-14)16(11-20-18)13-6-8-19-9-7-13/h2-11H,1H3.
What are the key properties of 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine?
4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine has a molecular weight of 275.31 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]pyridine is sourced from PubChem (CID 45482767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).