4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde

C13H12N2O3 — CID 63970246

IUPAC4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde
SMILESCOc1cc(C=O)c(-c2cnccn2)cc1OC
InChIInChI=1S/C13H12N2O3/c1-17-12-5-9(8-16)10(6-13(12)18-2)11-7-14-3-4-15-11/h3-8H,1-2H3
InChIKeyPJVUFCISBFGCDP-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.97
Rot. Bonds4

About 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde

4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde (PubChem CID 63970246) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde.

Molecular Properties

Compound Name4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde
PubChem CID63970246
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde
SMILESCOc1cc(C=O)c(-c2cnccn2)cc1OC
InChIInChI=1S/C13H12N2O3/c1-17-12-5-9(8-16)10(6-13(12)18-2)11-7-14-3-4-15-11/h3-8H,1-2H3
InChIKeyPJVUFCISBFGCDP-UHFFFAOYSA-N
XLogP1.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-pyrazin-2-ylbenzaldehyde
CID 22216617
2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde
CID 66098059
2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde
CID 143492413
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-(2-methoxy-4-propan-2-yloxyphenyl)pyrazine
CID 22249015
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
CID 54912502
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675
6-amino-4-methoxypyridine-3-carbaldehyde
CID 168943047
5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
CID 91511347

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde?
The IUPAC name of 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde (CID 63970246) is 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde.
What is the SMILES notation for 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde?
The canonical SMILES for 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde is COc1cc(C=O)c(-c2cnccn2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde?
The InChIKey is PJVUFCISBFGCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-12-5-9(8-16)10(6-13(12)18-2)11-7-14-3-4-15-11/h3-8H,1-2H3.
What are the key properties of 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde?
4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde has a molecular weight of 244.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde is sourced from PubChem (CID 63970246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).