2,4-dichloropteridine

• ChemBase ID: 797236
• Molecular Formular: C6H2Cl2N4
• Molecular Mass: 201.01288
• Monoisotopic Mass: 199.96565144
• SMILES: c1cnc2nc(nc(c2n1)Cl)Cl
• Canonical SMILES: Clc1nc2nccnc2c(n1)Cl
• InChI: InChI=1S/C6H2Cl2N4/c7-4-3-5(10-2-1-9-3)12-6(8)11-4/h1-2H
• InChIKey: WVSQXWZADZZUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloropteridine
• IUPAC Traditional name: 2,4-dichloropteridine
• Synonyms: 2,4-Dichloropteridine

Database IDs

• CAS Number: 98138-05-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4333421
• LogD (pH = 7.4): 1.4333447
• Log P: 1.4333447
• Molar Refractivity: 47.0522 cm^3
• Polarizability: 17.686022 Å^3
• Polar Surface Area: 51.56 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%