2-(3-methoxypyrazin-2-yl)benzaldehyde

C12H10N2O2 — CID 104516168

IUPAC2-(3-methoxypyrazin-2-yl)benzaldehyde
SMILESCOc1nccnc1-c1ccccc1C=O
InChIInChI=1S/C12H10N2O2/c1-16-12-11(13-6-7-14-12)10-5-3-2-4-9(10)8-15/h2-8H,1H3
InChIKeyVBTGLLVBVILOQJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.96
Rot. Bonds3

About 2-(3-methoxypyrazin-2-yl)benzaldehyde

2-(3-methoxypyrazin-2-yl)benzaldehyde (PubChem CID 104516168) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(3-methoxypyrazin-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(3-methoxypyrazin-2-yl)benzaldehyde
PubChem CID104516168
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-(3-methoxypyrazin-2-yl)benzaldehyde
SMILESCOc1nccnc1-c1ccccc1C=O
InChIInChI=1S/C12H10N2O2/c1-16-12-11(13-6-7-14-12)10-5-3-2-4-9(10)8-15/h2-8H,1H3
InChIKeyVBTGLLVBVILOQJ-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

2-(3-methoxypyrazin-2-yl)aniline
CID 104516148
2-methoxy-3-pyridin-2-ylpyrazine
CID 91147636
2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
3-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516184
2-(3-phenoxy-2-pyridinyl)benzaldehyde
CID 54465090
2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
CID 83918138
formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde
CID 160654642
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134620613
5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
CID 91511347
4-(3-methoxypyrazin-2-yl)-2,3-dihydro-1H-indole
CID 116698410
2-(2-amino-5-methyl-1,3-oxazol-4-yl)benzaldehyde
CID 105454155

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrazin-2-yl)benzaldehyde?
The IUPAC name of 2-(3-methoxypyrazin-2-yl)benzaldehyde (CID 104516168) is 2-(3-methoxypyrazin-2-yl)benzaldehyde.
What is the SMILES notation for 2-(3-methoxypyrazin-2-yl)benzaldehyde?
The canonical SMILES for 2-(3-methoxypyrazin-2-yl)benzaldehyde is COc1nccnc1-c1ccccc1C=O.
What is the InChIKey of 2-(3-methoxypyrazin-2-yl)benzaldehyde?
The InChIKey is VBTGLLVBVILOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12-11(13-6-7-14-12)10-5-3-2-4-9(10)8-15/h2-8H,1H3.
What are the key properties of 2-(3-methoxypyrazin-2-yl)benzaldehyde?
2-(3-methoxypyrazin-2-yl)benzaldehyde 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 2-(3-methoxypyrazin-2-yl)benzaldehyde is sourced from PubChem (CID 104516168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).