2-chloro-6-(pyrrolidin-3-yloxy)pyrazine hydrochloride

• ChemBase ID: 47395
• Molecular Formular: C8H11Cl2N3O
• Molecular Mass: 236.09844
• Monoisotopic Mass: 235.02791735
• SMILES: n1c(OC2CCNC2)cncc1Cl.Cl
• Canonical SMILES: Clc1cncc(n1)OC1CNCC1.Cl
• InChI: InChI=1S/C8H10ClN3O.ClH/c9-7-4-11-5-8(12-7)13-6-1-2-10-3-6;/h4-6,10H,1-3H2;1H
• InChIKey: KJRHSCGFSXIWHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(pyrrolidin-3-yloxy)pyrazine hydrochloride
• IUPAC Traditional name: 2-chloro-6-(pyrrolidin-3-yloxy)pyrazine hydrochloride
• Synonyms: 2-Chloro-6-(3-pyrrolidinyloxy)pyrazine hydrochloride

Database IDs

• MDL Number: MFCD13561259
• PubChem SID: 162052158
• PubChem CID: 56831272

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8429928
• LogD (pH = 7.4): -2.2532787
• Log P: 0.38270754
• Molar Refractivity: 49.678 cm^3
• Polarizability: 19.381649 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false