2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C17H14F4N4 — CID 58873588

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H14F4N4/c18-13-3-1-2-4-14(13)24-7-9-25(10-8-24)16-12(11-22)5-6-15(23-16)17(19,20)21/h1-6H,7-10H2
InChIKeyWDKTYTXWINQWOI-UHFFFAOYSA-N
MW350.32 g/mol
LogP3.44
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58873588) has the molecular formula C17H14F4N4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58873588
Molecular FormulaC17H14F4N4
Molecular Weight350.32 g/mol
Exact Mass350.12
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H14F4N4/c18-13-3-1-2-4-14(13)24-7-9-25(10-8-24)16-12(11-22)5-6-15(23-16)17(19,20)21/h1-6H,7-10H2
InChIKeyWDKTYTXWINQWOI-UHFFFAOYSA-N
XLogP3.44
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 58873364
2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133381233
2-(3,4-dimethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79035367
2-(3-aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876947
2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115305660
2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873804
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78089600
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966195
2-(2,6-dimethylthiomorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79034216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 58873588) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WDKTYTXWINQWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4/c18-13-3-1-2-4-14(13)24-7-9-25(10-8-24)16-12(11-22)5-6-15(23-16)17(19,20)21/h1-6H,7-10H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 350.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58873588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).