3,5-dibromo-2-fluoropyrazine

C4HBr2FN2 — CID 91457424

IUPAC3,5-dibromo-2-fluoropyrazine
SMILESFc1ncc(Br)nc1Br
InChIInChI=1S/C4HBr2FN2/c5-2-1-8-4(7)3(6)9-2/h1H
InChIKeyKARGAGSHFOVRNJ-UHFFFAOYSA-N
MW255.87 g/mol
LogP2.14
Rot. Bonds

About 3,5-dibromo-2-fluoropyrazine

3,5-dibromo-2-fluoropyrazine (PubChem CID 91457424) has the molecular formula C4HBr2FN2 and a molecular weight of 255.87 g/mol. Its IUPAC name is 3,5-dibromo-2-fluoropyrazine.

Molecular Properties

Compound Name3,5-dibromo-2-fluoropyrazine
PubChem CID91457424
Molecular FormulaC4HBr2FN2
Molecular Weight255.87 g/mol
Exact Mass253.85
IUPAC Name3,5-dibromo-2-fluoropyrazine
SMILESFc1ncc(Br)nc1Br
InChIInChI=1S/C4HBr2FN2/c5-2-1-8-4(7)3(6)9-2/h1H
InChIKeyKARGAGSHFOVRNJ-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.87
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-fluoropyrazine?
The IUPAC name of 3,5-dibromo-2-fluoropyrazine (CID 91457424) is 3,5-dibromo-2-fluoropyrazine.
What is the SMILES notation for 3,5-dibromo-2-fluoropyrazine?
The canonical SMILES for 3,5-dibromo-2-fluoropyrazine is Fc1ncc(Br)nc1Br.
What is the InChIKey of 3,5-dibromo-2-fluoropyrazine?
The InChIKey is KARGAGSHFOVRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBr2FN2/c5-2-1-8-4(7)3(6)9-2/h1H.
What are the key properties of 3,5-dibromo-2-fluoropyrazine?
3,5-dibromo-2-fluoropyrazine has a molecular weight of 255.87 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-fluoropyrazine is sourced from PubChem (CID 91457424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).