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

C19H11FN4OS — CID 11639127

IUPAC2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2F)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C19H11FN4OS/c20-15-6-1-2-7-16(15)26-19-14(10-22)17(13(9-21)18(23)24-19)11-4-3-5-12(25)8-11/h1-8,25H,(H2,23,24)
InChIKeySLRKMWGRHOLTGA-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.07
Rot. Bonds3

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

2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 11639127) has the molecular formula C19H11FN4OS and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID11639127
Molecular FormulaC19H11FN4OS
Molecular Weight362.39 g/mol
Exact Mass362.06
IUPAC Name2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2F)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C19H11FN4OS/c20-15-6-1-2-7-16(15)26-19-14(10-22)17(13(9-21)18(23)24-19)11-4-3-5-12(25)8-11/h1-8,25H,(H2,23,24)
InChIKeySLRKMWGRHOLTGA-UHFFFAOYSA-N
XLogP4.07
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.07
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-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CID 11639127) is 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccccc2F)c(C#N)c1-c1cccc(O)c1.
What is the InChIKey of 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is SLRKMWGRHOLTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN4OS/c20-15-6-1-2-7-16(15)26-19-14(10-22)17(13(9-21)18(23)24-19)11-4-3-5-12(25)8-11/h1-8,25H,(H2,23,24).
What are the key properties of 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 362.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluorophenyl)sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11639127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).