2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile

C22H19FN2O — CID 23047350

IUPAC2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile
SMILESCOc1ccc(CC(C#N)(Cc2cccnc2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H19FN2O/c1-26-21-9-7-17(8-10-21)13-22(16-24,14-18-4-3-11-25-15-18)19-5-2-6-20(23)12-19/h2-12,15H,13-14H2,1H3
InChIKeyPTVOUEYSWUDELC-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.48
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile

2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile (PubChem CID 23047350) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile
PubChem CID23047350
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile
SMILESCOc1ccc(CC(C#N)(Cc2cccnc2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H19FN2O/c1-26-21-9-7-17(8-10-21)13-22(16-24,14-18-4-3-11-25-15-18)19-5-2-6-20(23)12-19/h2-12,15H,13-14H2,1H3
InChIKeyPTVOUEYSWUDELC-UHFFFAOYSA-N
XLogP4.48
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile?
The IUPAC name of 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile (CID 23047350) is 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile is COc1ccc(CC(C#N)(Cc2cccnc2)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile?
The InChIKey is PTVOUEYSWUDELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-26-21-9-7-17(8-10-21)13-22(16-24,14-18-4-3-11-25-15-18)19-5-2-6-20(23)12-19/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile?
2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile has a molecular weight of 346.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 23047350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).