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

C21H14N2O2 — CID 127030026

IUPAC6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C21H14N2O2/c1-24-21-17(13-22)16(14-7-3-2-4-8-14)12-18(23-21)20-11-15-9-5-6-10-19(15)25-20/h2-12H,1H3
InChIKeyLRRVOHQXRWIFTG-UHFFFAOYSA-N
MW326.36 g/mol
LogP5.04
Rot. Bonds3

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

6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile (PubChem CID 127030026) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile
PubChem CID127030026
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C21H14N2O2/c1-24-21-17(13-22)16(14-7-3-2-4-8-14)12-18(23-21)20-11-15-9-5-6-10-19(15)25-20/h2-12H,1H3
InChIKeyLRRVOHQXRWIFTG-UHFFFAOYSA-N
XLogP5.04
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.04
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-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile (CID 127030026) is 6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile is COc1nc(-c2cc3ccccc3o2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile?
The InChIKey is LRRVOHQXRWIFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c1-24-21-17(13-22)16(14-7-3-2-4-8-14)12-18(23-21)20-11-15-9-5-6-10-19(15)25-20/h2-12H,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 5.04, 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-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 127030026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).