2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile

C12H12F3N3 — CID 57456789

IUPAC2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cnc1N1CCCCC1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)10-6-9(7-16)11(17-8-10)18-4-2-1-3-5-18/h6,8H,1-5H2
InChIKeyMSVPCCIGNRZNNR-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.96
Rot. Bonds1

About 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile

2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 57456789) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID57456789
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cnc1N1CCCCC1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)10-6-9(7-16)11(17-8-10)18-4-2-1-3-5-18/h6,8H,1-5H2
InChIKeyMSVPCCIGNRZNNR-UHFFFAOYSA-N
XLogP2.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile (CID 57456789) is 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)(F)F)cnc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MSVPCCIGNRZNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)10-6-9(7-16)11(17-8-10)18-4-2-1-3-5-18/h6,8H,1-5H2.
What are the key properties of 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile?
2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 255.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 57456789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).