4,7-dichloropyrido[2,3-d]pyrimidine

• ChemBase ID: 63360
• Molecular Formular: C7H3Cl2N3
• Molecular Mass: 200.02482
• Monoisotopic Mass: 198.97040247
• SMILES: c1nc(Cl)c2ccc(Cl)nc2n1
• Canonical SMILES: Clc1ccc2c(n1)ncnc2Cl
• InChI: InChI=1S/C7H3Cl2N3/c8-5-2-1-4-6(9)10-3-11-7(4)12-5/h1-3H
• InChIKey: VRXZQRLAIVDILJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloropyrido[2,3-d]pyrimidine
• IUPAC Traditional name: 4,7-dichloropyrido[2,3-d]pyrimidine
• Synonyms: 4,7-Dichloro-pyrido[2,3-d]pyrimidine

Database IDs

• CAS Number: 552331-44-9
• MDL Number: MFCD09701974
• PubChem SID: 162029099
• PubChem CID: 22607759

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1808157
• LogD (pH = 7.4): 2.180838
• Log P: 2.1808383
• Molar Refractivity: 49.9486 cm^3
• Polarizability: 18.428308 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%