2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C16H14F3N3S — CID 2726260

IUPAC2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1N1CCCCC1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)12-9-13(14-5-4-8-23-14)21-15(11(12)10-20)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2
InChIKeyKGBXGQJLQZFTGA-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.69
Rot. Bonds2

About 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2726260) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2726260
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC Name2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1N1CCCCC1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)12-9-13(14-5-4-8-23-14)21-15(11(12)10-20)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2
InChIKeyKGBXGQJLQZFTGA-UHFFFAOYSA-N
XLogP4.69
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2726260) is 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KGBXGQJLQZFTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3S/c17-16(18,19)12-9-13(14-5-4-8-23-14)21-15(11(12)10-20)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 337.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2726260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).