4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile

C21H18FN3O — CID 11725245

IUPAC4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)cc(-c2ccco2)nc1N1CCCCC1
InChIInChI=1S/C21H18FN3O/c22-18-8-3-2-7-15(18)16-13-19(20-9-6-12-26-20)24-21(17(16)14-23)25-10-4-1-5-11-25/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyOMZLWMARLWXBAA-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.01
Rot. Bonds3

About 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile

4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 11725245) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID11725245
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)cc(-c2ccco2)nc1N1CCCCC1
InChIInChI=1S/C21H18FN3O/c22-18-8-3-2-7-15(18)16-13-19(20-9-6-12-26-20)24-21(17(16)14-23)25-10-4-1-5-11-25/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyOMZLWMARLWXBAA-UHFFFAOYSA-N
XLogP5.01
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile (CID 11725245) is 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2F)cc(-c2ccco2)nc1N1CCCCC1.
What is the InChIKey of 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is OMZLWMARLWXBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-18-8-3-2-7-15(18)16-13-19(20-9-6-12-26-20)24-21(17(16)14-23)25-10-4-1-5-11-25/h2-3,6-9,12-13H,1,4-5,10-11H2.
What are the key properties of 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile?
4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 347.39 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 11725245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).