2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile

C14H9FN4S — CID 23007482

IUPAC2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCc2ccc(F)cc2)nc1N
InChIInChI=1S/C14H9FN4S/c15-12-3-1-9(2-4-12)8-20-14-11(7-17)5-10(6-16)13(18)19-14/h1-5H,8H2,(H2,18,19)
InChIKeyYVKOOLFMDDXWKF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile

2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 23007482) has the molecular formula C14H9FN4S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID23007482
Molecular FormulaC14H9FN4S
Molecular Weight284.32 g/mol
Exact Mass284.05
IUPAC Name2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCc2ccc(F)cc2)nc1N
InChIInChI=1S/C14H9FN4S/c15-12-3-1-9(2-4-12)8-20-14-11(7-17)5-10(6-16)13(18)19-14/h1-5H,8H2,(H2,18,19)
InChIKeyYVKOOLFMDDXWKF-UHFFFAOYSA-N
XLogP2.84
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 23007482) is 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(SCc2ccc(F)cc2)nc1N.
What is the InChIKey of 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is YVKOOLFMDDXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4S/c15-12-3-1-9(2-4-12)8-20-14-11(7-17)5-10(6-16)13(18)19-14/h1-5H,8H2,(H2,18,19).
What are the key properties of 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 23007482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).