4-methoxy-2-pyrazin-2-ylbenzaldehyde

C12H10N2O2 — CID 22216617

IUPAC4-methoxy-2-pyrazin-2-ylbenzaldehyde
SMILESCOc1ccc(C=O)c(-c2cnccn2)c1
InChIInChI=1S/C12H10N2O2/c1-16-10-3-2-9(8-15)11(6-10)12-7-13-4-5-14-12/h2-8H,1H3
InChIKeyTYKMMWCTKROFHS-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.96
Rot. Bonds3

About 4-methoxy-2-pyrazin-2-ylbenzaldehyde

4-methoxy-2-pyrazin-2-ylbenzaldehyde (PubChem CID 22216617) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-methoxy-2-pyrazin-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-pyrazin-2-ylbenzaldehyde
PubChem CID22216617
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-methoxy-2-pyrazin-2-ylbenzaldehyde
SMILESCOc1ccc(C=O)c(-c2cnccn2)c1
InChIInChI=1S/C12H10N2O2/c1-16-10-3-2-9(8-15)11(6-10)12-7-13-4-5-14-12/h2-8H,1H3
InChIKeyTYKMMWCTKROFHS-UHFFFAOYSA-N
XLogP1.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-pyrazin-2-ylbenzaldehyde
CID 63970246
4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
CID 172649224
1-(5-methoxy-2-pyrazin-2-ylphenyl)-N-methylmethanamine
CID 114077969
7-methoxy-4-(2-methyl-2-pyrazin-2-ylhydrazinyl)quinoline-3-carbaldehyde
CID 155363215
2-[(E)-2-(2-ethyl-4-methoxyphenyl)ethenyl]pyrazine
CID 167858045
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
CID 166511370
2-(2-methoxy-4-propan-2-yloxyphenyl)pyrazine
CID 22249015
4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
CID 172650181
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190
4-(2,4-dimethoxyphenyl)-2-pyrazin-2-yl-1,3-thiazole
CID 60529099
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyrazin-2-ylbenzaldehyde?
The IUPAC name of 4-methoxy-2-pyrazin-2-ylbenzaldehyde (CID 22216617) is 4-methoxy-2-pyrazin-2-ylbenzaldehyde.
What is the SMILES notation for 4-methoxy-2-pyrazin-2-ylbenzaldehyde?
The canonical SMILES for 4-methoxy-2-pyrazin-2-ylbenzaldehyde is COc1ccc(C=O)c(-c2cnccn2)c1.
What is the InChIKey of 4-methoxy-2-pyrazin-2-ylbenzaldehyde?
The InChIKey is TYKMMWCTKROFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-10-3-2-9(8-15)11(6-10)12-7-13-4-5-14-12/h2-8H,1H3.
What are the key properties of 4-methoxy-2-pyrazin-2-ylbenzaldehyde?
4-methoxy-2-pyrazin-2-ylbenzaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyrazin-2-ylbenzaldehyde is sourced from PubChem (CID 22216617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).