2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile

C17H11FN4O2S — CID 58740081

IUPAC2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CCOC2=O)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN4O2S/c18-10-3-1-9(2-4-10)14-11(7-19)15(21)22-16(12(14)8-20)25-13-5-6-24-17(13)23/h1-4,13H,5-6H2,(H2,21,22)
InChIKeyBWGDDAQYTQCSRR-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 58740081) has the molecular formula C17H11FN4O2S and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID58740081
Molecular FormulaC17H11FN4O2S
Molecular Weight354.37 g/mol
Exact Mass354.06
IUPAC Name2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CCOC2=O)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C17H11FN4O2S/c18-10-3-1-9(2-4-10)14-11(7-19)15(21)22-16(12(14)8-20)25-13-5-6-24-17(13)23/h1-4,13H,5-6H2,(H2,21,22)
InChIKeyBWGDDAQYTQCSRR-UHFFFAOYSA-N
XLogP2.62
TPSA112.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile (CID 58740081) is 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SC2CCOC2=O)c(C#N)c1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is BWGDDAQYTQCSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2S/c18-10-3-1-9(2-4-10)14-11(7-19)15(21)22-16(12(14)8-20)25-13-5-6-24-17(13)23/h1-4,13H,5-6H2,(H2,21,22).
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 354.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 58740081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).