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

C16H14F3N5 — CID 2741714

IUPAC6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)13-2-1-5-21-15(13)24-8-6-23(7-9-24)14-4-3-12(10-20)11-22-14/h1-5,11H,6-9H2
InChIKeyNDSNAWQBZPVLDG-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.69
Rot. Bonds2

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

6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 2741714) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID2741714
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)13-2-1-5-21-15(13)24-8-6-23(7-9-24)14-4-3-12(10-20)11-22-14/h1-5,11H,6-9H2
InChIKeyNDSNAWQBZPVLDG-UHFFFAOYSA-N
XLogP2.69
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 2741714) is 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1.
What is the InChIKey of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NDSNAWQBZPVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c17-16(18,19)13-2-1-5-21-15(13)24-8-6-23(7-9-24)14-4-3-12(10-20)11-22-14/h1-5,11H,6-9H2.
What are the key properties of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 333.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 2741714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).