2-chloro-3-(1-methoxyethoxymethyl)pyrazine

C8H11ClN2O2 — CID 141315058

IUPAC2-chloro-3-(1-methoxyethoxymethyl)pyrazine
SMILESCOC(C)OCc1nccnc1Cl
InChIInChI=1S/C8H11ClN2O2/c1-6(12-2)13-5-7-8(9)11-4-3-10-7/h3-4,6H,5H2,1-2H3
InChIKeyYGPNYABJDNZEGL-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.64
Rot. Bonds4

About 2-chloro-3-(1-methoxyethoxymethyl)pyrazine

2-chloro-3-(1-methoxyethoxymethyl)pyrazine (PubChem CID 141315058) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-chloro-3-(1-methoxyethoxymethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(1-methoxyethoxymethyl)pyrazine
PubChem CID141315058
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-chloro-3-(1-methoxyethoxymethyl)pyrazine
SMILESCOC(C)OCc1nccnc1Cl
InChIInChI=1S/C8H11ClN2O2/c1-6(12-2)13-5-7-8(9)11-4-3-10-7/h3-4,6H,5H2,1-2H3
InChIKeyYGPNYABJDNZEGL-UHFFFAOYSA-N
XLogP1.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-chloro-3-(1-methoxyethoxymethyl)pyrazine 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

2-(Dimethoxymethyl)-5-methylpyrazine
CID 24865884
3-Chloro-5-methoxy-2-(methoxymethyl)pyrazine
CID 20528993
2-(Diethoxymethyl)pyrazine
CID 20542415
(5-Chloropyrazin-2-yl)methyl propanoate
CID 23462032
2-Chloro-3-(methoxymethyl)pyrazine
CID 53385544
2-(Propoxymethyl)pyrazine
CID 53678102
2-(1,3-Dioxolan-2-yl)pyrazine
CID 57176001
2-Chloro-3-(1-ethoxyethenyl)pyrazine
CID 87600850
2-[Phosphoroso-di(propan-2-yloxy)methyl]pyrazine
CID 90980171
2-[Diethoxy(phosphoroso)methyl]pyrazine
CID 91273647
2-(Dimethoxymethyl)pyrazine
CID 91367678
2-Chloro-5-(methoxymethyl)pyrazine
CID 103054676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-methoxyethoxymethyl)pyrazine?
The IUPAC name of 2-chloro-3-(1-methoxyethoxymethyl)pyrazine (CID 141315058) is 2-chloro-3-(1-methoxyethoxymethyl)pyrazine.
What is the SMILES notation for 2-chloro-3-(1-methoxyethoxymethyl)pyrazine?
The canonical SMILES for 2-chloro-3-(1-methoxyethoxymethyl)pyrazine is COC(C)OCc1nccnc1Cl.
What is the InChIKey of 2-chloro-3-(1-methoxyethoxymethyl)pyrazine?
The InChIKey is YGPNYABJDNZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-6(12-2)13-5-7-8(9)11-4-3-10-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-3-(1-methoxyethoxymethyl)pyrazine?
2-chloro-3-(1-methoxyethoxymethyl)pyrazine has a molecular weight of 202.64 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-methoxyethoxymethyl)pyrazine is sourced from PubChem (CID 141315058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).