2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine

C11H17ClN2O3 — CID 103177429

IUPAC2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine
SMILESCOCCCOCCOCc1cnc(Cl)cn1
InChIInChI=1S/C11H17ClN2O3/c1-15-3-2-4-16-5-6-17-9-10-7-14-11(12)8-13-10/h7-8H,2-6,9H2,1H3
InChIKeyQJZHTFLVBRJEAR-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.70
Rot. Bonds9

About 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine

2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine (PubChem CID 103177429) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine
PubChem CID103177429
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine
SMILESCOCCCOCCOCc1cnc(Cl)cn1
InChIInChI=1S/C11H17ClN2O3/c1-15-3-2-4-16-5-6-17-9-10-7-14-11(12)8-13-10/h7-8H,2-6,9H2,1H3
InChIKeyQJZHTFLVBRJEAR-UHFFFAOYSA-N
XLogP1.70
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]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

5-(3-methoxypropoxymethyl)pyrazin-2-amine
CID 103057859
3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine
CID 103177400
2-chloro-5-(3-methylbutoxymethyl)pyrazine
CID 103054737
5-[2-(2-methoxyethoxy)ethoxymethyl]pyrazin-2-amine
CID 103059455
2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
CID 106994670
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
CID 134579597
5-chloro-6-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62886850
N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 103054155
2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine
CID 103054759
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine?
The IUPAC name of 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine (CID 103177429) is 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine?
The canonical SMILES for 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine is COCCCOCCOCc1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine?
The InChIKey is QJZHTFLVBRJEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c1-15-3-2-4-16-5-6-17-9-10-7-14-11(12)8-13-10/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine?
2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine has a molecular weight of 260.72 g/mol, XLogP of 1.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine is sourced from PubChem (CID 103177429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).