4,5-dichloropyridin-3-amine

• ChemBase ID: 236354
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: c1(c(N)cncc1Cl)Cl
• Canonical SMILES: Clc1c(N)cncc1Cl
• InChI: InChI=1S/C5H4Cl2N2/c6-3-1-9-2-4(8)5(3)7/h1-2H,8H2
• InChIKey: AYLFZJLTKYILPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloropyridin-3-amine
• IUPAC Traditional name: 4,5-dichloropyridin-3-amine
• Synonyms: 4,5-dichloropyridin-3-amine

Database IDs

• CAS Number: 89284-39-9
• MDL Number: MFCD09910182
• PubChem SID: 164292264
• PubChem CID: 11850827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1340374
• LogD (pH = 7.4): 1.134728
• Log P: 1.1347368
• Molar Refractivity: 38.2111 cm^3
• Polarizability: 14.4505005 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 1.79

Product Information

• Purity: 95%; 95+%