2-bromo-2-pyrazin-2-ylacetaldehyde

C6H5BrN2O — CID 87311321

IUPAC2-bromo-2-pyrazin-2-ylacetaldehyde
SMILESO=CC(Br)c1cnccn1
InChIInChI=1S/C6H5BrN2O/c7-5(4-10)6-3-8-1-2-9-6/h1-5H
InChIKeyFOEJJWMPRDQBCR-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.11
Rot. Bonds2

About 2-bromo-2-pyrazin-2-ylacetaldehyde

2-bromo-2-pyrazin-2-ylacetaldehyde (PubChem CID 87311321) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is 2-bromo-2-pyrazin-2-ylacetaldehyde.

Molecular Properties

Compound Name2-bromo-2-pyrazin-2-ylacetaldehyde
PubChem CID87311321
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC Name2-bromo-2-pyrazin-2-ylacetaldehyde
SMILESO=CC(Br)c1cnccn1
InChIInChI=1S/C6H5BrN2O/c7-5(4-10)6-3-8-1-2-9-6/h1-5H
InChIKeyFOEJJWMPRDQBCR-UHFFFAOYSA-N
XLogP1.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-oxo-2-pyrazin-2-ylpropanenitrile
CID 129384082
(4-bromophenyl)-pyrazin-2-ylmethanol
CID 63970462
pyrazin-2-ylmethanedithiol
CID 90963119
2-(2-bromopentan-3-yl)pyrazine
CID 63203717
2-methylpropanal;2-methylpyrazine
CID 145021428
1-pyrazin-2-ylethylphosphane
CID 59073972
2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde
CID 87598831
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
2-bromo-2-pyrazin-2-yl-1-pyridin-2-ylethanone
CID 157022812
3-bromo-1-pyrazin-2-ylpropane-1,2-diol
CID 171859387
2-pyrazin-2-ylpropanamide
CID 21413230
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-pyrazin-2-ylacetaldehyde?
The IUPAC name of 2-bromo-2-pyrazin-2-ylacetaldehyde (CID 87311321) is 2-bromo-2-pyrazin-2-ylacetaldehyde.
What is the SMILES notation for 2-bromo-2-pyrazin-2-ylacetaldehyde?
The canonical SMILES for 2-bromo-2-pyrazin-2-ylacetaldehyde is O=CC(Br)c1cnccn1.
What is the InChIKey of 2-bromo-2-pyrazin-2-ylacetaldehyde?
The InChIKey is FOEJJWMPRDQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O/c7-5(4-10)6-3-8-1-2-9-6/h1-5H.
What are the key properties of 2-bromo-2-pyrazin-2-ylacetaldehyde?
2-bromo-2-pyrazin-2-ylacetaldehyde has a molecular weight of 201.02 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-pyrazin-2-ylacetaldehyde is sourced from PubChem (CID 87311321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).