2-bromo-N-pyrazin-2-ylacetamide

C6H6BrN3O — CID 44542669

IUPAC2-bromo-N-pyrazin-2-ylacetamide
SMILESO=C(CBr)Nc1cnccn1
InChIInChI=1S/C6H6BrN3O/c7-3-6(11)10-5-4-8-1-2-9-5/h1-2,4H,3H2,(H,9,10,11)
InChIKeyWKCWELSTTLPNKW-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.81
Rot. Bonds2

About 2-bromo-N-pyrazin-2-ylacetamide

2-bromo-N-pyrazin-2-ylacetamide (PubChem CID 44542669) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 2-bromo-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-bromo-N-pyrazin-2-ylacetamide
PubChem CID44542669
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name2-bromo-N-pyrazin-2-ylacetamide
SMILESO=C(CBr)Nc1cnccn1
InChIInChI=1S/C6H6BrN3O/c7-3-6(11)10-5-4-8-1-2-9-5/h1-2,4H,3H2,(H,9,10,11)
InChIKeyWKCWELSTTLPNKW-UHFFFAOYSA-N
XLogP0.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-N-2-pyrazinylacetamide
CID 198729
N-(6-chloropyrazin-2-yl)acetamide
CID 14787673
N-(5-Bromopyrazin-2-YL)acetamide
CID 58574049
N-pyrazin-2-ylacetamide
CID 350679
N-(6-bromopyrazin-2-yl)-2-chloroacetamide
CID 130299627
N-pyrazin-2-ylformamide
CID 12924252
1-(Pyrazin-2-yl)urea
CID 13033268
N-(5-bromopyrazin-2-yl)-2,2-dimethylpropanamide
CID 21897395
3,3,3-trifluoro-N-pyrazin-2-ylpropanamide
CID 86794698
N-(3-fluoropyrazin-2-yl)acetamide
CID 132224551
N-(6-fluoropyrazin-2-yl)acetamide
CID 132224556
N-(3-fluoropyrazin-2-yl)propanamide
CID 137490650

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-bromo-N-pyrazin-2-ylacetamide (CID 44542669) is 2-bromo-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-bromo-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-bromo-N-pyrazin-2-ylacetamide is O=C(CBr)Nc1cnccn1.
What is the InChIKey of 2-bromo-N-pyrazin-2-ylacetamide?
The InChIKey is WKCWELSTTLPNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-3-6(11)10-5-4-8-1-2-9-5/h1-2,4H,3H2,(H,9,10,11).
What are the key properties of 2-bromo-N-pyrazin-2-ylacetamide?
2-bromo-N-pyrazin-2-ylacetamide has a molecular weight of 216.04 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 44542669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).