2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

C15H11FN4OS — CID 11186097

IUPAC2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(F)c1
InChIInChI=1S/C15H11FN4OS/c16-10-3-1-2-9(6-10)13-11(7-17)14(19)20-15(12(13)8-18)22-5-4-21/h1-3,6,21H,4-5H2,(H2,19,20)
InChIKeyDKTHVMKCQBQDIW-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 11186097) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID11186097
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(F)c1
InChIInChI=1S/C15H11FN4OS/c16-10-3-1-2-9(6-10)13-11(7-17)14(19)20-15(12(13)8-18)22-5-4-21/h1-3,6,21H,4-5H2,(H2,19,20)
InChIKeyDKTHVMKCQBQDIW-UHFFFAOYSA-N
XLogP2.30
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 11186097) is 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(F)c1.
What is the InChIKey of 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is DKTHVMKCQBQDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-10-3-1-2-9(6-10)13-11(7-17)14(19)20-15(12(13)8-18)22-5-4-21/h1-3,6,21H,4-5H2,(H2,19,20).
What are the key properties of 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 314.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11186097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).