5-bromo-2,3-dimethoxypyrazine

C6H7BrN2O2 — CID 15114439

IUPAC5-bromo-2,3-dimethoxypyrazine
SMILESCOc1ncc(Br)nc1OC
InChIInChI=1S/C6H7BrN2O2/c1-10-5-6(11-2)9-4(7)3-8-5/h3H,1-2H3
InChIKeyUANBJBLRCNEFTC-UHFFFAOYSA-N
MW219.04 g/mol
LogP1.26
Rot. Bonds2

About 5-bromo-2,3-dimethoxypyrazine

5-bromo-2,3-dimethoxypyrazine (PubChem CID 15114439) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-2,3-dimethoxypyrazine.

Molecular Properties

Compound Name5-bromo-2,3-dimethoxypyrazine
PubChem CID15114439
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name5-bromo-2,3-dimethoxypyrazine
SMILESCOc1ncc(Br)nc1OC
InChIInChI=1S/C6H7BrN2O2/c1-10-5-6(11-2)9-4(7)3-8-5/h3H,1-2H3
InChIKeyUANBJBLRCNEFTC-UHFFFAOYSA-N
XLogP1.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethoxypyrazine?
The IUPAC name of 5-bromo-2,3-dimethoxypyrazine (CID 15114439) is 5-bromo-2,3-dimethoxypyrazine.
What is the SMILES notation for 5-bromo-2,3-dimethoxypyrazine?
The canonical SMILES for 5-bromo-2,3-dimethoxypyrazine is COc1ncc(Br)nc1OC.
What is the InChIKey of 5-bromo-2,3-dimethoxypyrazine?
The InChIKey is UANBJBLRCNEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-10-5-6(11-2)9-4(7)3-8-5/h3H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethoxypyrazine?
5-bromo-2,3-dimethoxypyrazine has a molecular weight of 219.04 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethoxypyrazine is sourced from PubChem (CID 15114439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).