6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

C21H13FN2O2 — CID 127032686

IUPAC6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C21H13FN2O2/c1-25-21-17(12-23)16(13-6-8-15(22)9-7-13)11-18(24-21)20-10-14-4-2-3-5-19(14)26-20/h2-11H,1H3
InChIKeyJEFWUQUWILXAME-UHFFFAOYSA-N
MW344.35 g/mol
LogP5.18
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 127032686) has the molecular formula C21H13FN2O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
PubChem CID127032686
Molecular FormulaC21H13FN2O2
Molecular Weight344.35 g/mol
Exact Mass344.10
IUPAC Name6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C21H13FN2O2/c1-25-21-17(12-23)16(13-6-8-15(22)9-7-13)11-18(24-21)20-10-14-4-2-3-5-19(14)26-20/h2-11H,1H3
InChIKeyJEFWUQUWILXAME-UHFFFAOYSA-N
XLogP5.18
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 55.18
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)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile (CID 127032686) is 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile is COc1nc(-c2cc3ccccc3o2)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is JEFWUQUWILXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O2/c1-25-21-17(12-23)16(13-6-8-15(22)9-7-13)11-18(24-21)20-10-14-4-2-3-5-19(14)26-20/h2-11H,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 344.35 g/mol, XLogP of 5.18, 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)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 127032686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).