8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine

C14H9BrFN3S — CID 154608555

IUPAC8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine
SMILESCSc1nc(-c2ccc(F)cc2)c(Br)c2nccnc12
InChIInChI=1S/C14H9BrFN3S/c1-20-14-13-12(17-6-7-18-13)10(15)11(19-14)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyHUOWBVOECPDPDI-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.32
Rot. Bonds2

About 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine

8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine (PubChem CID 154608555) has the molecular formula C14H9BrFN3S and a molecular weight of 350.22 g/mol. Its IUPAC name is 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine
PubChem CID154608555
Molecular FormulaC14H9BrFN3S
Molecular Weight350.22 g/mol
Exact Mass348.97
IUPAC Name8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine
SMILESCSc1nc(-c2ccc(F)cc2)c(Br)c2nccnc12
InChIInChI=1S/C14H9BrFN3S/c1-20-14-13-12(17-6-7-18-13)10(15)11(19-14)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyHUOWBVOECPDPDI-UHFFFAOYSA-N
XLogP4.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine?
The IUPAC name of 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine (CID 154608555) is 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine?
The canonical SMILES for 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine is CSc1nc(-c2ccc(F)cc2)c(Br)c2nccnc12.
What is the InChIKey of 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine?
The InChIKey is HUOWBVOECPDPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3S/c1-20-14-13-12(17-6-7-18-13)10(15)11(19-14)8-2-4-9(16)5-3-8/h2-7H,1H3.
What are the key properties of 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine?
8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine has a molecular weight of 350.22 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-(4-fluorophenyl)-5-methylsulfanylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 154608555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).