6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

C22H16N2O2 — CID 127030035

IUPAC6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C22H16N2O2/c1-14-7-9-15(10-8-14)17-12-19(24-22(25-2)18(17)13-23)21-11-16-5-3-4-6-20(16)26-21/h3-12H,1-2H3
InChIKeyBGUXOUPLRPYMBF-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.35
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 127030035) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID127030035
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C22H16N2O2/c1-14-7-9-15(10-8-14)17-12-19(24-22(25-2)18(17)13-23)21-11-16-5-3-4-6-20(16)26-21/h3-12H,1-2H3
InChIKeyBGUXOUPLRPYMBF-UHFFFAOYSA-N
XLogP5.35
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 127030035) is 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is COc1nc(-c2cc3ccccc3o2)cc(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is BGUXOUPLRPYMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-14-7-9-15(10-8-14)17-12-19(24-22(25-2)18(17)13-23)21-11-16-5-3-4-6-20(16)26-21/h3-12H,1-2H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 127030035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).