methoxymethane;5-phenylpyrazine-2-carbaldehyde

C13H14N2O2 — CID 177046942

IUPACmethoxymethane;5-phenylpyrazine-2-carbaldehyde
SMILESCOC.O=Cc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C11H8N2O.C2H6O/c14-8-10-6-13-11(7-12-10)9-4-2-1-3-5-9;1-3-2/h1-8H;1-2H3
InChIKeyMNJAVJCQXIYJSS-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds2

About methoxymethane;5-phenylpyrazine-2-carbaldehyde

methoxymethane;5-phenylpyrazine-2-carbaldehyde (PubChem CID 177046942) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methoxymethane;5-phenylpyrazine-2-carbaldehyde.

Molecular Properties

Compound Namemethoxymethane;5-phenylpyrazine-2-carbaldehyde
PubChem CID177046942
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethoxymethane;5-phenylpyrazine-2-carbaldehyde
SMILESCOC.O=Cc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C11H8N2O.C2H6O/c14-8-10-6-13-11(7-12-10)9-4-2-1-3-5-9;1-3-2/h1-8H;1-2H3
InChIKeyMNJAVJCQXIYJSS-UHFFFAOYSA-N
XLogP2.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methoxymethane;5-phenylpyrazine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-formylpyrazin-2-yl)furan-2-carboxylic acid
CID 165484054
1-(5-phenylpyrazin-2-yl)ethanone
CID 15500391
2-methoxy-6-phenylpyridine-4-carbaldehyde
CID 131526477
2-chloro-5-phenylpyrazine
CID 1236664
5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde
CID 82403529
2-ethyl-5-phenylpyrazine
CID 22355264
5-hydroxy-4-phenylpyridine-2-carbaldehyde
CID 131602436
1-(5-phenylpyrazin-2-yl)propan-1-one
CID 15500398
2-methoxy-3-methyl-5-phenylpyrazine
CID 13123634
formyl chloride;2-phenylpyridine
CID 175066008
3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
2-methoxy-3,5-diphenylpyrazine
CID 13123633

Frequently Asked Questions

What is the IUPAC name of methoxymethane;5-phenylpyrazine-2-carbaldehyde?
The IUPAC name of methoxymethane;5-phenylpyrazine-2-carbaldehyde (CID 177046942) is methoxymethane;5-phenylpyrazine-2-carbaldehyde.
What is the SMILES notation for methoxymethane;5-phenylpyrazine-2-carbaldehyde?
The canonical SMILES for methoxymethane;5-phenylpyrazine-2-carbaldehyde is COC.O=Cc1cnc(-c2ccccc2)cn1.
What is the InChIKey of methoxymethane;5-phenylpyrazine-2-carbaldehyde?
The InChIKey is MNJAVJCQXIYJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O.C2H6O/c14-8-10-6-13-11(7-12-10)9-4-2-1-3-5-9;1-3-2/h1-8H;1-2H3.
What are the key properties of methoxymethane;5-phenylpyrazine-2-carbaldehyde?
methoxymethane;5-phenylpyrazine-2-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;5-phenylpyrazine-2-carbaldehyde is sourced from PubChem (CID 177046942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).