5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine

C10H7BrFN3S — CID 171485942

IUPAC5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine
SMILESNc1ncc(Br)nc1Sc1ccccc1F
InChIInChI=1S/C10H7BrFN3S/c11-8-5-14-9(13)10(15-8)16-7-4-2-1-3-6(7)12/h1-5H,(H2,13,14)
InChIKeyHDMAHJIAGNKLML-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine

5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine (PubChem CID 171485942) has the molecular formula C10H7BrFN3S and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine
PubChem CID171485942
Molecular FormulaC10H7BrFN3S
Molecular Weight300.16 g/mol
Exact Mass298.95
IUPAC Name5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine
SMILESNc1ncc(Br)nc1Sc1ccccc1F
InChIInChI=1S/C10H7BrFN3S/c11-8-5-14-9(13)10(15-8)16-7-4-2-1-3-6(7)12/h1-5H,(H2,13,14)
InChIKeyHDMAHJIAGNKLML-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine (CID 171485942) is 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine is Nc1ncc(Br)nc1Sc1ccccc1F.
What is the InChIKey of 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine?
The InChIKey is HDMAHJIAGNKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3S/c11-8-5-14-9(13)10(15-8)16-7-4-2-1-3-6(7)12/h1-5H,(H2,13,14).
What are the key properties of 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine?
5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine has a molecular weight of 300.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-fluorophenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 171485942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).