6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile

C15H7N3O2 — CID 68668959

IUPAC6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)o3)o2)nc1
InChIInChI=1S/C15H7N3O2/c16-7-10-1-3-12(18-9-10)13-5-6-15(20-13)14-4-2-11(8-17)19-14/h1-6,9H
InChIKeyOMBPCLIYBKGMKL-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.34
Rot. Bonds2

About 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile

6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile (PubChem CID 68668959) has the molecular formula C15H7N3O2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile
PubChem CID68668959
Molecular FormulaC15H7N3O2
Molecular Weight261.24 g/mol
Exact Mass261.05
IUPAC Name6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)o3)o2)nc1
InChIInChI=1S/C15H7N3O2/c16-7-10-1-3-12(18-9-10)13-5-6-15(20-13)14-4-2-11(8-17)19-14/h1-6,9H
InChIKeyOMBPCLIYBKGMKL-UHFFFAOYSA-N
XLogP3.34
TPSA86.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile (CID 68668959) is 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(-c3ccc(C#N)o3)o2)nc1.
What is the InChIKey of 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile?
The InChIKey is OMBPCLIYBKGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N3O2/c16-7-10-1-3-12(18-9-10)13-5-6-15(20-13)14-4-2-11(8-17)19-14/h1-6,9H.
What are the key properties of 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile?
6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile has a molecular weight of 261.24 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-cyanofuran-2-yl)furan-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 68668959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).