4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile

C21H17FN2O2 — CID 154644716

IUPAC4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile
SMILESCOCCOc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C21H17FN2O2/c1-25-11-12-26-21-19(14-23)18(15-7-9-17(22)10-8-15)13-20(24-21)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyYPNVNWMMTXXJKR-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.45
Rot. Bonds6

About 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile

4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile (PubChem CID 154644716) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile
PubChem CID154644716
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile
SMILESCOCCOc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C21H17FN2O2/c1-25-11-12-26-21-19(14-23)18(15-7-9-17(22)10-8-15)13-20(24-21)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyYPNVNWMMTXXJKR-UHFFFAOYSA-N
XLogP4.45
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyethoxy)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile (CID 154644716) is 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile is COCCOc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile?
The InChIKey is YPNVNWMMTXXJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-25-11-12-26-21-19(14-23)18(15-7-9-17(22)10-8-15)13-20(24-21)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile has a molecular weight of 348.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 154644716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).