2-bromo-5-methylpyrazine

C5H5BrN2 — CID 22419346

IUPAC2-bromo-5-methylpyrazine
SMILESCc1cnc(Br)cn1
InChIInChI=1S/C5H5BrN2/c1-4-2-8-5(6)3-7-4/h2-3H,1H3
InChIKeyOBZRGWKVWAXNKZ-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.55
Rot. Bonds

About 2-bromo-5-methylpyrazine

2-bromo-5-methylpyrazine (PubChem CID 22419346) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 2-bromo-5-methylpyrazine.

Molecular Properties

Compound Name2-bromo-5-methylpyrazine
PubChem CID22419346
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name2-bromo-5-methylpyrazine
SMILESCc1cnc(Br)cn1
InChIInChI=1S/C5H5BrN2/c1-4-2-8-5(6)3-7-4/h2-3H,1H3
InChIKeyOBZRGWKVWAXNKZ-UHFFFAOYSA-N
XLogP1.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylpyrazine?
The IUPAC name of 2-bromo-5-methylpyrazine (CID 22419346) is 2-bromo-5-methylpyrazine.
What is the SMILES notation for 2-bromo-5-methylpyrazine?
The canonical SMILES for 2-bromo-5-methylpyrazine is Cc1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-methylpyrazine?
The InChIKey is OBZRGWKVWAXNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c1-4-2-8-5(6)3-7-4/h2-3H,1H3.
What are the key properties of 2-bromo-5-methylpyrazine?
2-bromo-5-methylpyrazine has a molecular weight of 173.01 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylpyrazine is sourced from PubChem (CID 22419346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).