6-chloropyrazine-2-carbaldehyde

C5H3ClN2O — CID 11693922

IUPAC6-chloropyrazine-2-carbaldehyde
SMILESO=Cc1cncc(Cl)n1
InChIInChI=1S/C5H3ClN2O/c6-5-2-7-1-4(3-9)8-5/h1-3H
InChIKeyNWLIHAPBHUZMAD-UHFFFAOYSA-N
MW142.55 g/mol
LogP0.94
Rot. Bonds1

About 6-chloropyrazine-2-carbaldehyde

6-chloropyrazine-2-carbaldehyde (PubChem CID 11693922) has the molecular formula C5H3ClN2O and a molecular weight of 142.55 g/mol. Its IUPAC name is 6-chloropyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloropyrazine-2-carbaldehyde
PubChem CID11693922
Molecular FormulaC5H3ClN2O
Molecular Weight142.55 g/mol
Exact Mass141.99
IUPAC Name6-chloropyrazine-2-carbaldehyde
SMILESO=Cc1cncc(Cl)n1
InChIInChI=1S/C5H3ClN2O/c6-5-2-7-1-4(3-9)8-5/h1-3H
InChIKeyNWLIHAPBHUZMAD-UHFFFAOYSA-N
XLogP0.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.55
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyrazine-2-carbaldehyde?
The IUPAC name of 6-chloropyrazine-2-carbaldehyde (CID 11693922) is 6-chloropyrazine-2-carbaldehyde.
What is the SMILES notation for 6-chloropyrazine-2-carbaldehyde?
The canonical SMILES for 6-chloropyrazine-2-carbaldehyde is O=Cc1cncc(Cl)n1.
What is the InChIKey of 6-chloropyrazine-2-carbaldehyde?
The InChIKey is NWLIHAPBHUZMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O/c6-5-2-7-1-4(3-9)8-5/h1-3H.
What are the key properties of 6-chloropyrazine-2-carbaldehyde?
6-chloropyrazine-2-carbaldehyde has a molecular weight of 142.55 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrazine-2-carbaldehyde is sourced from PubChem (CID 11693922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).