2,3-dichloropyridin-4-amine

• ChemBase ID: 45125
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: c1(c(nccc1N)Cl)Cl
• Canonical SMILES: Clc1c(N)ccnc1Cl
• InChI: InChI=1S/C5H4Cl2N2/c6-4-3(8)1-2-9-5(4)7/h1-2H,(H2,8,9)
• InChIKey: DVUKWILERQFZFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloropyridin-4-amine
• IUPAC Traditional name: 2,3-dichloropyridin-4-amine
• Synonyms: 2,3-Dichloro-4-pyridinamine

Database IDs

• CAS Number: 184416-83-9
• MDL Number: MFCD01646113
• PubChem SID: 162049888
• PubChem CID: 595728

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3502742
• LogD (pH = 7.4): 1.3548552
• Log P: 1.354914
• Molar Refractivity: 39.2724 cm^3
• Polarizability: 14.500697 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 153 °C; 152-153°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%