4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile

C15H8N2O2 — CID 72556329

IUPAC4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(C=C2OC(=O)c3ccccc32)ccn1
InChIInChI=1S/C15H8N2O2/c16-9-11-7-10(5-6-17-11)8-14-12-3-1-2-4-13(12)15(18)19-14/h1-8H
InChIKeyJLSUYLOPEDYKMM-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.62
Rot. Bonds1

About 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile

4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile (PubChem CID 72556329) has the molecular formula C15H8N2O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile
PubChem CID72556329
Molecular FormulaC15H8N2O2
Molecular Weight248.24 g/mol
Exact Mass248.06
IUPAC Name4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(C=C2OC(=O)c3ccccc32)ccn1
InChIInChI=1S/C15H8N2O2/c16-9-11-7-10(5-6-17-11)8-14-12-3-1-2-4-13(12)15(18)19-14/h1-8H
InChIKeyJLSUYLOPEDYKMM-UHFFFAOYSA-N
XLogP2.62
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile (CID 72556329) is 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile is N#Cc1cc(C=C2OC(=O)c3ccccc32)ccn1.
What is the InChIKey of 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile?
The InChIKey is JLSUYLOPEDYKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2/c16-9-11-7-10(5-6-17-11)8-14-12-3-1-2-4-13(12)15(18)19-14/h1-8H.
What are the key properties of 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile?
4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile has a molecular weight of 248.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-2-benzofuran-1-ylidene)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 72556329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).