6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile

C18H16F3N3O4S — CID 71799133

IUPAC6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C18H16F3N3O4S/c19-18(20,21)28-15-2-4-16(5-3-15)29(25,26)24-9-7-14(8-10-24)27-17-6-1-13(11-22)12-23-17/h1-6,12,14H,7-10H2
InChIKeyUXDDRXRDUCWJGQ-UHFFFAOYSA-N
MW427.40 g/mol
LogP3.08
Rot. Bonds5

About 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile

6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799133) has the molecular formula C18H16F3N3O4S and a molecular weight of 427.40 g/mol. Its IUPAC name is 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799133
Molecular FormulaC18H16F3N3O4S
Molecular Weight427.40 g/mol
Exact Mass427.08
IUPAC Name6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C18H16F3N3O4S/c19-18(20,21)28-15-2-4-16(5-3-15)29(25,26)24-9-7-14(8-10-24)27-17-6-1-13(11-22)12-23-17/h1-6,12,14H,7-10H2
InChIKeyUXDDRXRDUCWJGQ-UHFFFAOYSA-N
XLogP3.08
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799133) is 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is UXDDRXRDUCWJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4S/c19-18(20,21)28-15-2-4-16(5-3-15)29(25,26)24-9-7-14(8-10-24)27-17-6-1-13(11-22)12-23-17/h1-6,12,14H,7-10H2.
What are the key properties of 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 427.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).