4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

C13H8N2O2 — CID 4918240

IUPAC4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2c1oc1ccccc12
InChIInChI=1S/C13H8N2O2/c1-7-9(6-14)13(16)15-11-8-4-2-3-5-10(8)17-12(7)11/h2-5H,1H3,(H,15,16)
InChIKeyZSIKMCVSAASXSF-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.45
Rot. Bonds

About 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (PubChem CID 4918240) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
PubChem CID4918240
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2c1oc1ccccc12
InChIInChI=1S/C13H8N2O2/c1-7-9(6-14)13(16)15-11-8-4-2-3-5-10(8)17-12(7)11/h2-5H,1H3,(H,15,16)
InChIKeyZSIKMCVSAASXSF-UHFFFAOYSA-N
XLogP2.45
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (CID 4918240) is 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is Cc1c(C#N)c(=O)[nH]c2c1oc1ccccc12.
What is the InChIKey of 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
The InChIKey is ZSIKMCVSAASXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c1-7-9(6-14)13(16)15-11-8-4-2-3-5-10(8)17-12(7)11/h2-5H,1H3,(H,15,16).
What are the key properties of 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile has a molecular weight of 224.22 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1H-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 4918240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).