2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile

C16H11F3N4O2S — CID 11314995

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)25-10-3-1-2-9(6-10)13-11(7-20)14(22)23-15(12(13)8-21)26-5-4-24/h1-3,6,24H,4-5H2,(H2,22,23)
InChIKeyUBLDULOJSRFRFJ-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.06
Rot. Bonds5

About 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile

2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 11314995) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID11314995
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)25-10-3-1-2-9(6-10)13-11(7-20)14(22)23-15(12(13)8-21)26-5-4-24/h1-3,6,24H,4-5H2,(H2,22,23)
InChIKeyUBLDULOJSRFRFJ-UHFFFAOYSA-N
XLogP3.06
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile (CID 11314995) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is UBLDULOJSRFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c17-16(18,19)25-10-3-1-2-9(6-10)13-11(7-20)14(22)23-15(12(13)8-21)26-5-4-24/h1-3,6,24H,4-5H2,(H2,22,23).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 380.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-[3-(trifluoromethoxy)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11314995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).