5-bromo-2-chloro-3-methoxypyrazine

C5H4BrClN2O — CID 70700604

IUPAC5-bromo-2-chloro-3-methoxypyrazine
SMILESCOc1nc(Br)cnc1Cl
InChIInChI=1S/C5H4BrClN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
InChIKeyFXXJHKPFEKHKHZ-UHFFFAOYSA-N
MW223.46 g/mol
LogP1.90
Rot. Bonds1

About 5-bromo-2-chloro-3-methoxypyrazine

5-bromo-2-chloro-3-methoxypyrazine (PubChem CID 70700604) has the molecular formula C5H4BrClN2O and a molecular weight of 223.46 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-methoxypyrazine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-methoxypyrazine
PubChem CID70700604
Molecular FormulaC5H4BrClN2O
Molecular Weight223.46 g/mol
Exact Mass221.92
IUPAC Name5-bromo-2-chloro-3-methoxypyrazine
SMILESCOc1nc(Br)cnc1Cl
InChIInChI=1S/C5H4BrClN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
InChIKeyFXXJHKPFEKHKHZ-UHFFFAOYSA-N
XLogP1.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.46
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-methoxypyrazine?
The IUPAC name of 5-bromo-2-chloro-3-methoxypyrazine (CID 70700604) is 5-bromo-2-chloro-3-methoxypyrazine.
What is the SMILES notation for 5-bromo-2-chloro-3-methoxypyrazine?
The canonical SMILES for 5-bromo-2-chloro-3-methoxypyrazine is COc1nc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-methoxypyrazine?
The InChIKey is FXXJHKPFEKHKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3.
What are the key properties of 5-bromo-2-chloro-3-methoxypyrazine?
5-bromo-2-chloro-3-methoxypyrazine has a molecular weight of 223.46 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-methoxypyrazine is sourced from PubChem (CID 70700604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).