3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine

C15H15ClF3N3 — CID 2822466

IUPAC3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCC(n3cccc3)CC2)c(Cl)c1
InChIInChI=1S/C15H15ClF3N3/c16-13-9-11(15(17,18)19)10-20-14(13)22-7-3-12(4-8-22)21-5-1-2-6-21/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyDIOOTLCZIRTPSJ-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.40
Rot. Bonds2

About 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine

3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 2822466) has the molecular formula C15H15ClF3N3 and a molecular weight of 329.75 g/mol. Its IUPAC name is 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID2822466
Molecular FormulaC15H15ClF3N3
Molecular Weight329.75 g/mol
Exact Mass329.09
IUPAC Name3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCC(n3cccc3)CC2)c(Cl)c1
InChIInChI=1S/C15H15ClF3N3/c16-13-9-11(15(17,18)19)10-20-14(13)22-7-3-12(4-8-22)21-5-1-2-6-21/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyDIOOTLCZIRTPSJ-UHFFFAOYSA-N
XLogP4.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine (CID 2822466) is 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(N2CCC(n3cccc3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is DIOOTLCZIRTPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3/c16-13-9-11(15(17,18)19)10-20-14(13)22-7-3-12(4-8-22)21-5-1-2-6-21/h1-2,5-6,9-10,12H,3-4,7-8H2.
What are the key properties of 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 329.75 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2822466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).