6-chloro-5-methylpyridin-3-amine

• ChemBase ID: 88766
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(c(cc(c1)N)C)Cl
• Canonical SMILES: Nc1cnc(c(c1)C)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-2-5(8)3-9-6(4)7/h2-3H,8H2,1H3
• InChIKey: VSBISZPNLZFTPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methylpyridin-3-amine
• IUPAC Traditional name: 6-chloro-5-methylpyridin-3-amine
• Synonyms: 6-Chloro-5-methylpyridin-3-amine; 5-Amino-2-chloro-3-methylpyridine; 6-chloro-5-methylpyridin-3-amine; 5-AMINO-2-CHLORO-3-PICOLINE

Database IDs

• CAS Number: 38186-82-2
• MDL Number: MFCD03095087
• PubChem SID: 162075674
• PubChem CID: 12295607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2641474
• LogD (pH = 7.4): 1.2642889
• Log P: 1.2642907
• Molar Refractivity: 39.5088 cm^3
• Polarizability: 14.263746 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.653

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 95%; 95+%; 98%