3-amino-6-chloropyrazine-2-carbaldehyde

C5H4ClN3O — CID 55263321

IUPAC3-amino-6-chloropyrazine-2-carbaldehyde
SMILESNc1ncc(Cl)nc1C=O
InChIInChI=1S/C5H4ClN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8)
InChIKeyIJWURQKYEYQSQL-UHFFFAOYSA-N
MW157.56 g/mol
LogP0.52
Rot. Bonds1

About 3-amino-6-chloropyrazine-2-carbaldehyde

3-amino-6-chloropyrazine-2-carbaldehyde (PubChem CID 55263321) has the molecular formula C5H4ClN3O and a molecular weight of 157.56 g/mol. Its IUPAC name is 3-amino-6-chloropyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-6-chloropyrazine-2-carbaldehyde
PubChem CID55263321
Molecular FormulaC5H4ClN3O
Molecular Weight157.56 g/mol
Exact Mass157.00
IUPAC Name3-amino-6-chloropyrazine-2-carbaldehyde
SMILESNc1ncc(Cl)nc1C=O
InChIInChI=1S/C5H4ClN3O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H,(H2,7,8)
InChIKeyIJWURQKYEYQSQL-UHFFFAOYSA-N
XLogP0.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.56
LogP ≤ 50.52
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-chloropyrazine-2-carbaldehyde?
The IUPAC name of 3-amino-6-chloropyrazine-2-carbaldehyde (CID 55263321) is 3-amino-6-chloropyrazine-2-carbaldehyde.
What is the SMILES notation for 3-amino-6-chloropyrazine-2-carbaldehyde?
The canonical SMILES for 3-amino-6-chloropyrazine-2-carbaldehyde is Nc1ncc(Cl)nc1C=O.
What is the InChIKey of 3-amino-6-chloropyrazine-2-carbaldehyde?
The InChIKey is IJWURQKYEYQSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O/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-chloropyrazine-2-carbaldehyde?
3-amino-6-chloropyrazine-2-carbaldehyde has a molecular weight of 157.56 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloropyrazine-2-carbaldehyde is sourced from PubChem (CID 55263321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).