2-(bromomethyl)pyrazine

C5H5BrN2 — CID 12752238

IUPAC2-(bromomethyl)pyrazine
SMILESBrCc1cnccn1
InChIInChI=1S/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKeyVNMORBLLLTZLLT-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.37
Rot. Bonds1

About 2-(bromomethyl)pyrazine

2-(bromomethyl)pyrazine (PubChem CID 12752238) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 2-(bromomethyl)pyrazine.

Molecular Properties

Compound Name2-(bromomethyl)pyrazine
PubChem CID12752238
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name2-(bromomethyl)pyrazine
SMILESBrCc1cnccn1
InChIInChI=1S/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKeyVNMORBLLLTZLLT-UHFFFAOYSA-N
XLogP1.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)pyrazine?
The IUPAC name of 2-(bromomethyl)pyrazine (CID 12752238) is 2-(bromomethyl)pyrazine.
What is the SMILES notation for 2-(bromomethyl)pyrazine?
The canonical SMILES for 2-(bromomethyl)pyrazine is BrCc1cnccn1.
What is the InChIKey of 2-(bromomethyl)pyrazine?
The InChIKey is VNMORBLLLTZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2.
What are the key properties of 2-(bromomethyl)pyrazine?
2-(bromomethyl)pyrazine has a molecular weight of 173.01 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)pyrazine is sourced from PubChem (CID 12752238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).