2,5-dichloropyridin-4-amine

• ChemBase ID: 291366
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: Nc1cc(Cl)ncc1Cl
• Canonical SMILES: Clc1ncc(c(c1)N)Cl
• InChI: InChI=1S/C5H4Cl2N2/c6-3-2-9-5(7)1-4(3)8/h1-2H,(H2,8,9)
• InChIKey: HBJPCBYDFZOSOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloropyridin-4-amine
• IUPAC Traditional name: 2,5-dichloropyridin-4-amine
• Synonyms: 2,5-Dichloropyridin-4-amine

Database IDs

• CAS Number: 405230-82-2
• MDL Number: MFCD11044256
• PubChem SID: 180676897
• PubChem CID: 22284049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3526287
• LogD (pH = 7.4): 1.3548851
• Log P: 1.354914
• Molar Refractivity: 39.2724 cm^3
• Polarizability: 14.469955 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%