2-bromo-1-pyrazin-2-ylethanone;hydrobromide

C6H6Br2N2O — CID 22498773

IUPAC2-bromo-1-pyrazin-2-ylethanone;hydrobromide
SMILESBr.O=C(CBr)c1cnccn1
InChIInChI=1S/C6H5BrN2O.BrH/c7-3-6(10)5-4-8-1-2-9-5;/h1-2,4H,3H2;1H
InChIKeyNBCBXZRKUNIAMQ-UHFFFAOYSA-N
MW281.94 g/mol
LogP1.63
Rot. Bonds2

About 2-bromo-1-pyrazin-2-ylethanone;hydrobromide

2-bromo-1-pyrazin-2-ylethanone;hydrobromide (PubChem CID 22498773) has the molecular formula C6H6Br2N2O and a molecular weight of 281.94 g/mol. Its IUPAC name is 2-bromo-1-pyrazin-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-pyrazin-2-ylethanone;hydrobromide
PubChem CID22498773
Molecular FormulaC6H6Br2N2O
Molecular Weight281.94 g/mol
Exact Mass279.88
IUPAC Name2-bromo-1-pyrazin-2-ylethanone;hydrobromide
SMILESBr.O=C(CBr)c1cnccn1
InChIInChI=1S/C6H5BrN2O.BrH/c7-3-6(10)5-4-8-1-2-9-5;/h1-2,4H,3H2;1H
InChIKeyNBCBXZRKUNIAMQ-UHFFFAOYSA-N
XLogP1.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.94
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-1-pyrazin-2-ylethanone;hydrobromide?
The IUPAC name of 2-bromo-1-pyrazin-2-ylethanone;hydrobromide (CID 22498773) is 2-bromo-1-pyrazin-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-pyrazin-2-ylethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-pyrazin-2-ylethanone;hydrobromide is Br.O=C(CBr)c1cnccn1.
What is the InChIKey of 2-bromo-1-pyrazin-2-ylethanone;hydrobromide?
The InChIKey is NBCBXZRKUNIAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O.BrH/c7-3-6(10)5-4-8-1-2-9-5;/h1-2,4H,3H2;1H.
What are the key properties of 2-bromo-1-pyrazin-2-ylethanone;hydrobromide?
2-bromo-1-pyrazin-2-ylethanone;hydrobromide has a molecular weight of 281.94 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-pyrazin-2-ylethanone;hydrobromide is sourced from PubChem (CID 22498773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).