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

C16H11F3N4OS — CID 11268516

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N4OS/c17-16(18,19)10-3-1-9(2-4-10)13-11(7-20)14(22)23-15(12(13)8-21)25-6-5-24/h1-4,24H,5-6H2,(H2,22,23)
InChIKeyKZMUMHSHQDFMSC-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.18
Rot. Bonds4

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

2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 11268516) has the molecular formula C16H11F3N4OS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID11268516
Molecular FormulaC16H11F3N4OS
Molecular Weight364.35 g/mol
Exact Mass364.06
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N4OS/c17-16(18,19)10-3-1-9(2-4-10)13-11(7-20)14(22)23-15(12(13)8-21)25-6-5-24/h1-4,24H,5-6H2,(H2,22,23)
InChIKeyKZMUMHSHQDFMSC-UHFFFAOYSA-N
XLogP3.18
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (CID 11268516) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is KZMUMHSHQDFMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS/c17-16(18,19)10-3-1-9(2-4-10)13-11(7-20)14(22)23-15(12(13)8-21)25-6-5-24/h1-4,24H,5-6H2,(H2,22,23).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 364.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11268516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).