4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile

C22H20FN3O3 — CID 154644650

IUPAC4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESCOCCOCCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C22H20FN3O3/c1-27-10-11-28-12-13-29-22-19(15-24)18(16-5-7-17(23)8-6-16)14-21(26-22)20-4-2-3-9-25-20/h2-9,14H,10-13H2,1H3
InChIKeyPRPIYQCDUFODLS-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.86
Rot. Bonds9

About 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile

4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 154644650) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID154644650
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESCOCCOCCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C22H20FN3O3/c1-27-10-11-28-12-13-29-22-19(15-24)18(16-5-7-17(23)8-6-16)14-21(26-22)20-4-2-3-9-25-20/h2-9,14H,10-13H2,1H3
InChIKeyPRPIYQCDUFODLS-UHFFFAOYSA-N
XLogP3.86
TPSA77.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile (CID 154644650) is 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile is COCCOCCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is PRPIYQCDUFODLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-27-10-11-28-12-13-29-22-19(15-24)18(16-5-7-17(23)8-6-16)14-21(26-22)20-4-2-3-9-25-20/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile has a molecular weight of 393.42 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 154644650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).