6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C14H8N2O2 — CID 54261838

IUPAC6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3o2)[nH]c1=O
InChIInChI=1S/C14H8N2O2/c15-8-10-5-6-11(16-14(10)17)13-7-9-3-1-2-4-12(9)18-13/h1-7H,(H,16,17)
InChIKeyREBNUSKDQWMKTN-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.66
Rot. Bonds1

About 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 54261838) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID54261838
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3o2)[nH]c1=O
InChIInChI=1S/C14H8N2O2/c15-8-10-5-6-11(16-14(10)17)13-7-9-3-1-2-4-12(9)18-13/h1-7H,(H,16,17)
InChIKeyREBNUSKDQWMKTN-UHFFFAOYSA-N
XLogP2.66
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 54261838) is 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1ccc(-c2cc3ccccc3o2)[nH]c1=O.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is REBNUSKDQWMKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c15-8-10-5-6-11(16-14(10)17)13-7-9-3-1-2-4-12(9)18-13/h1-7H,(H,16,17).
What are the key properties of 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 236.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 54261838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).