2-bromo-3-fluoropyrazine

C4H2BrFN2 — CID 15369694

IUPAC2-bromo-3-fluoropyrazine
SMILESFc1nccnc1Br
InChIInChI=1S/C4H2BrFN2/c5-3-4(6)8-2-1-7-3/h1-2H
InChIKeyQIDLQERJCKEQOL-UHFFFAOYSA-N
MW176.98 g/mol
LogP1.38
Rot. Bonds

About 2-bromo-3-fluoropyrazine

2-bromo-3-fluoropyrazine (PubChem CID 15369694) has the molecular formula C4H2BrFN2 and a molecular weight of 176.98 g/mol. Its IUPAC name is 2-bromo-3-fluoropyrazine.

Molecular Properties

Compound Name2-bromo-3-fluoropyrazine
PubChem CID15369694
Molecular FormulaC4H2BrFN2
Molecular Weight176.98 g/mol
Exact Mass175.94
IUPAC Name2-bromo-3-fluoropyrazine
SMILESFc1nccnc1Br
InChIInChI=1S/C4H2BrFN2/c5-3-4(6)8-2-1-7-3/h1-2H
InChIKeyQIDLQERJCKEQOL-UHFFFAOYSA-N
XLogP1.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.98
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoropyrazine?
The IUPAC name of 2-bromo-3-fluoropyrazine (CID 15369694) is 2-bromo-3-fluoropyrazine.
What is the SMILES notation for 2-bromo-3-fluoropyrazine?
The canonical SMILES for 2-bromo-3-fluoropyrazine is Fc1nccnc1Br.
What is the InChIKey of 2-bromo-3-fluoropyrazine?
The InChIKey is QIDLQERJCKEQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrFN2/c5-3-4(6)8-2-1-7-3/h1-2H.
What are the key properties of 2-bromo-3-fluoropyrazine?
2-bromo-3-fluoropyrazine has a molecular weight of 176.98 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoropyrazine is sourced from PubChem (CID 15369694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).