3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde

C11H10N2O3 — CID 173203994

IUPAC3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde
SMILESO=CC1OC=CC=C1OCc1cnccn1
InChIInChI=1S/C11H10N2O3/c14-7-11-10(2-1-5-15-11)16-8-9-6-12-3-4-13-9/h1-7,11H,8H2
InChIKeyNJMPGCJQUJHAIC-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.99
Rot. Bonds4

About 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde

3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde (PubChem CID 173203994) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde
PubChem CID173203994
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde
SMILESO=CC1OC=CC=C1OCc1cnccn1
InChIInChI=1S/C11H10N2O3/c14-7-11-10(2-1-5-15-11)16-8-9-6-12-3-4-13-9/h1-7,11H,8H2
InChIKeyNJMPGCJQUJHAIC-UHFFFAOYSA-N
XLogP0.99
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde?
The IUPAC name of 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde (CID 173203994) is 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde?
The canonical SMILES for 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde is O=CC1OC=CC=C1OCc1cnccn1.
What is the InChIKey of 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde?
The InChIKey is NJMPGCJQUJHAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-7-11-10(2-1-5-15-11)16-8-9-6-12-3-4-13-9/h1-7,11H,8H2.
What are the key properties of 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde?
3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde has a molecular weight of 218.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 173203994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).