3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile

C11H5F2N3S — CID 60620126

IUPAC3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H5F2N3S/c12-8-2-1-7(5-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H
InChIKeyUGVSXBHIHRAWHK-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.78
Rot. Bonds2

About 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile

3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile (PubChem CID 60620126) has the molecular formula C11H5F2N3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile
PubChem CID60620126
Molecular FormulaC11H5F2N3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H5F2N3S/c12-8-2-1-7(5-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H
InChIKeyUGVSXBHIHRAWHK-UHFFFAOYSA-N
XLogP2.78
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile (CID 60620126) is 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile is N#Cc1nccnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile?
The InChIKey is UGVSXBHIHRAWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F2N3S/c12-8-2-1-7(5-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H.
What are the key properties of 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile?
3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile has a molecular weight of 249.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanylpyrazine-2-carbonitrile is sourced from PubChem (CID 60620126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).