(6-chloro-5-methylpyridin-3-yl)methanamine hydrochloride

• ChemBase ID: 90590
• Molecular Formular: C7H10Cl2N2
• Molecular Mass: 193.0737
• Monoisotopic Mass: 192.02210369
• SMILES: n1cc(cc(c1Cl)C)CN.Cl
• Canonical SMILES: NCc1cnc(c(c1)C)Cl.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-5-2-6(3-9)4-10-7(5)8;/h2,4H,3,9H2,1H3;1H
• InChIKey: WQUFVSQNLCVMJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloro-5-methylpyridin-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (6-chloro-5-methylpyridin-3-yl)methanamine hydrochloride
• Synonyms: (6-Chloro-5-methylpyridin-3-yl)methylamine hydrochloride; 5-(Aminomethyl)-2-chloro-3-methylpyridine hydrochloride

Database IDs

• PubChem SID: 162104774
• PubChem CID: 53395592

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7248768
• LogD (pH = 7.4): -0.53933376
• Log P: 1.2189851
• Molar Refractivity: 43.2818 cm^3
• Polarizability: 16.48498 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold