5-bromo-3-fluoro-2-methoxypyrazine

C5H4BrFN2O — CID 178171204

IUPAC5-bromo-3-fluoro-2-methoxypyrazine
SMILESCOc1ncc(Br)nc1F
InChIInChI=1S/C5H4BrFN2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3
InChIKeyIXFFPMRXKCMIQG-UHFFFAOYSA-N
MW207.00 g/mol
LogP1.39
Rot. Bonds1

About 5-bromo-3-fluoro-2-methoxypyrazine

5-bromo-3-fluoro-2-methoxypyrazine (PubChem CID 178171204) has the molecular formula C5H4BrFN2O and a molecular weight of 207.00 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-methoxypyrazine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-methoxypyrazine
PubChem CID178171204
Molecular FormulaC5H4BrFN2O
Molecular Weight207.00 g/mol
Exact Mass205.95
IUPAC Name5-bromo-3-fluoro-2-methoxypyrazine
SMILESCOc1ncc(Br)nc1F
InChIInChI=1S/C5H4BrFN2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3
InChIKeyIXFFPMRXKCMIQG-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-methoxypyrazine?
The IUPAC name of 5-bromo-3-fluoro-2-methoxypyrazine (CID 178171204) is 5-bromo-3-fluoro-2-methoxypyrazine.
What is the SMILES notation for 5-bromo-3-fluoro-2-methoxypyrazine?
The canonical SMILES for 5-bromo-3-fluoro-2-methoxypyrazine is COc1ncc(Br)nc1F.
What is the InChIKey of 5-bromo-3-fluoro-2-methoxypyrazine?
The InChIKey is IXFFPMRXKCMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3.
What are the key properties of 5-bromo-3-fluoro-2-methoxypyrazine?
5-bromo-3-fluoro-2-methoxypyrazine has a molecular weight of 207.00 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-methoxypyrazine is sourced from PubChem (CID 178171204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).