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

• ChemBase ID: 63368
• Molecular Formular: C7H3Cl2N3
• Molecular Mass: 200.02482
• Monoisotopic Mass: 198.97040247
• SMILES: n1c(nc2c(c1Cl)cccn2)Cl
• Canonical SMILES: Clc1nc2ncccc2c(n1)Cl
• InChI: InChI=1S/C7H3Cl2N3/c8-5-4-2-1-3-10-6(4)12-7(9)11-5/h1-3H
• InChIKey: QSNSZGYDLUPWSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 126728-20-9
• MDL Number: MFCD07644627
• PubChem SID: 162029107
• PubChem CID: 22222228

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2651668
• LogD (pH = 7.4): 2.2651668
• Log P: 2.2651668
• Molar Refractivity: 49.5811 cm^3
• Polarizability: 18.495518 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%