5-methoxypyrazine-2-carbaldehyde

C6H6N2O2 — CID 55263563

IUPAC5-methoxypyrazine-2-carbaldehyde
SMILESCOc1cnc(C=O)cn1
InChIInChI=1S/C6H6N2O2/c1-10-6-3-7-5(4-9)2-8-6/h2-4H,1H3
InChIKeyKSOOMHYFEFVYRI-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.30
Rot. Bonds2

About 5-methoxypyrazine-2-carbaldehyde

5-methoxypyrazine-2-carbaldehyde (PubChem CID 55263563) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-methoxypyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxypyrazine-2-carbaldehyde
PubChem CID55263563
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5-methoxypyrazine-2-carbaldehyde
SMILESCOc1cnc(C=O)cn1
InChIInChI=1S/C6H6N2O2/c1-10-6-3-7-5(4-9)2-8-6/h2-4H,1H3
InChIKeyKSOOMHYFEFVYRI-UHFFFAOYSA-N
XLogP0.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.30
H-Bond Donors ≤ 50
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 5-methoxypyrazine-2-carbaldehyde?
The IUPAC name of 5-methoxypyrazine-2-carbaldehyde (CID 55263563) is 5-methoxypyrazine-2-carbaldehyde.
What is the SMILES notation for 5-methoxypyrazine-2-carbaldehyde?
The canonical SMILES for 5-methoxypyrazine-2-carbaldehyde is COc1cnc(C=O)cn1.
What is the InChIKey of 5-methoxypyrazine-2-carbaldehyde?
The InChIKey is KSOOMHYFEFVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-10-6-3-7-5(4-9)2-8-6/h2-4H,1H3.
What are the key properties of 5-methoxypyrazine-2-carbaldehyde?
5-methoxypyrazine-2-carbaldehyde has a molecular weight of 138.13 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrazine-2-carbaldehyde is sourced from PubChem (CID 55263563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).