3-bromo-5-chloro-2-fluoropyrazine

C4HBrClFN2 — CID 176755225

IUPAC3-bromo-5-chloro-2-fluoropyrazine
SMILESFc1ncc(Cl)nc1Br
InChIInChI=1S/C4HBrClFN2/c5-3-4(7)8-1-2(6)9-3/h1H
InChIKeyOLCBYVRQNPZUNG-UHFFFAOYSA-N
MW211.42 g/mol
LogP2.03
Rot. Bonds

About 3-bromo-5-chloro-2-fluoropyrazine

3-bromo-5-chloro-2-fluoropyrazine (PubChem CID 176755225) has the molecular formula C4HBrClFN2 and a molecular weight of 211.42 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-fluoropyrazine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-fluoropyrazine
PubChem CID176755225
Molecular FormulaC4HBrClFN2
Molecular Weight211.42 g/mol
Exact Mass209.90
IUPAC Name3-bromo-5-chloro-2-fluoropyrazine
SMILESFc1ncc(Cl)nc1Br
InChIInChI=1S/C4HBrClFN2/c5-3-4(7)8-1-2(6)9-3/h1H
InChIKeyOLCBYVRQNPZUNG-UHFFFAOYSA-N
XLogP2.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-fluoropyrazine?
The IUPAC name of 3-bromo-5-chloro-2-fluoropyrazine (CID 176755225) is 3-bromo-5-chloro-2-fluoropyrazine.
What is the SMILES notation for 3-bromo-5-chloro-2-fluoropyrazine?
The canonical SMILES for 3-bromo-5-chloro-2-fluoropyrazine is Fc1ncc(Cl)nc1Br.
What is the InChIKey of 3-bromo-5-chloro-2-fluoropyrazine?
The InChIKey is OLCBYVRQNPZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrClFN2/c5-3-4(7)8-1-2(6)9-3/h1H.
What are the key properties of 3-bromo-5-chloro-2-fluoropyrazine?
3-bromo-5-chloro-2-fluoropyrazine has a molecular weight of 211.42 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-fluoropyrazine is sourced from PubChem (CID 176755225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).