3-amino-6-bromopyrazine-2-carbaldehyde

C5H4BrN3O — CID 56965721

IUPAC3-amino-6-bromopyrazine-2-carbaldehyde
SMILESNc1ncc(Br)nc1C=O
InChIInChI=1S/C5H4BrN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8)
InChIKeyMVAXLZNZPNMCGT-UHFFFAOYSA-N
MW202.01 g/mol
LogP0.63
Rot. Bonds1

About 3-amino-6-bromopyrazine-2-carbaldehyde

3-amino-6-bromopyrazine-2-carbaldehyde (PubChem CID 56965721) has the molecular formula C5H4BrN3O and a molecular weight of 202.01 g/mol. Its IUPAC name is 3-amino-6-bromopyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-6-bromopyrazine-2-carbaldehyde
PubChem CID56965721
Molecular FormulaC5H4BrN3O
Molecular Weight202.01 g/mol
Exact Mass200.95
IUPAC Name3-amino-6-bromopyrazine-2-carbaldehyde
SMILESNc1ncc(Br)nc1C=O
InChIInChI=1S/C5H4BrN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8)
InChIKeyMVAXLZNZPNMCGT-UHFFFAOYSA-N
XLogP0.63
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromopyrazine-2-carbaldehyde?
The IUPAC name of 3-amino-6-bromopyrazine-2-carbaldehyde (CID 56965721) is 3-amino-6-bromopyrazine-2-carbaldehyde.
What is the SMILES notation for 3-amino-6-bromopyrazine-2-carbaldehyde?
The canonical SMILES for 3-amino-6-bromopyrazine-2-carbaldehyde is Nc1ncc(Br)nc1C=O.
What is the InChIKey of 3-amino-6-bromopyrazine-2-carbaldehyde?
The InChIKey is MVAXLZNZPNMCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8).
What are the key properties of 3-amino-6-bromopyrazine-2-carbaldehyde?
3-amino-6-bromopyrazine-2-carbaldehyde has a molecular weight of 202.01 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromopyrazine-2-carbaldehyde is sourced from PubChem (CID 56965721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).