3-fluoro-5-pyrazin-2-ylsulfanylaniline

C10H8FN3S — CID 63380979

IUPAC3-fluoro-5-pyrazin-2-ylsulfanylaniline
SMILESNc1cc(F)cc(Sc2cnccn2)c1
InChIInChI=1S/C10H8FN3S/c11-7-3-8(12)5-9(4-7)15-10-6-13-1-2-14-10/h1-6H,12H2
InChIKeyBDECYVUQPSZLRG-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds2

About 3-fluoro-5-pyrazin-2-ylsulfanylaniline

3-fluoro-5-pyrazin-2-ylsulfanylaniline (PubChem CID 63380979) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-fluoro-5-pyrazin-2-ylsulfanylaniline.

Molecular Properties

Compound Name3-fluoro-5-pyrazin-2-ylsulfanylaniline
PubChem CID63380979
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name3-fluoro-5-pyrazin-2-ylsulfanylaniline
SMILESNc1cc(F)cc(Sc2cnccn2)c1
InChIInChI=1S/C10H8FN3S/c11-7-3-8(12)5-9(4-7)15-10-6-13-1-2-14-10/h1-6H,12H2
InChIKeyBDECYVUQPSZLRG-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-pyrazin-2-ylsulfanylaniline?
The IUPAC name of 3-fluoro-5-pyrazin-2-ylsulfanylaniline (CID 63380979) is 3-fluoro-5-pyrazin-2-ylsulfanylaniline.
What is the SMILES notation for 3-fluoro-5-pyrazin-2-ylsulfanylaniline?
The canonical SMILES for 3-fluoro-5-pyrazin-2-ylsulfanylaniline is Nc1cc(F)cc(Sc2cnccn2)c1.
What is the InChIKey of 3-fluoro-5-pyrazin-2-ylsulfanylaniline?
The InChIKey is BDECYVUQPSZLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c11-7-3-8(12)5-9(4-7)15-10-6-13-1-2-14-10/h1-6H,12H2.
What are the key properties of 3-fluoro-5-pyrazin-2-ylsulfanylaniline?
3-fluoro-5-pyrazin-2-ylsulfanylaniline has a molecular weight of 221.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-pyrazin-2-ylsulfanylaniline is sourced from PubChem (CID 63380979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).