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

• ChemBase ID: 67735
• Molecular Formular: C7H3Cl2N3
• Molecular Mass: 200.02482
• Monoisotopic Mass: 198.97040247
• SMILES: c1(nc2c(c(n1)Cl)nccc2)Cl
• Canonical SMILES: Clc1nc2cccnc2c(n1)Cl
• InChI: InChI=1S/C7H3Cl2N3/c8-6-5-4(2-1-3-10-5)11-7(9)12-6/h1-3H
• InChIKey: UVVFNZJVLRJSMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 39551-54-7
• MDL Number: MFCD11046863
• PubChem SID: 162033470
• PubChem CID: 11958053

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3260095
• LogD (pH = 7.4): 2.3260126
• Log P: 2.3260126
• Molar Refractivity: 47.6363 cm^3
• Polarizability: 19.148554 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+%