2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride

• ChemBase ID: 67001
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: C1c2c(CCN1)nn(c2)C.Cl.Cl
• Canonical SMILES: Cn1cc2c(n1)CCNC2.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-10-5-6-4-8-3-2-7(6)9-10;;/h5,8H,2-4H2,1H3;2*1H
• InChIKey: ABBAYPXCQSWDQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
• IUPAC Traditional name: 2-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
• Synonyms: 4,5,6,7-Tetrahydro-2-methyl-2H-pyrazolo[4,3-c]pyridine dihydrochloride; 4,5,6,7-Tetrahydro-2-methyl-2H-pyrazolo-[4,3-c]pyridine dihydrochloride

Database IDs

• CAS Number: 157327-45-2
• MDL Number: MFCD09999162
• PubChem SID: 162032737
• PubChem CID: 45789686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8578124
• LogD (pH = 7.4): -1.2301838
• Log P: 0.029166631
• Molar Refractivity: 50.9412 cm^3
• Polarizability: 15.13256 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%