7-chlorofuro[2,3-d]pyridazine

• ChemBase ID: 269760
• Molecular Formular: C6H3ClN2O
• Molecular Mass: 154.55382
• Monoisotopic Mass: 153.99339041
• SMILES: c1(c2c(cco2)cnn1)Cl
• Canonical SMILES: Clc1nncc2c1occ2
• InChI: InChI=1S/C6H3ClN2O/c7-6-5-4(1-2-10-5)3-8-9-6/h1-3H
• InChIKey: JIPBNRYEWOMJQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chlorofuro[2,3-d]pyridazine
• IUPAC Traditional name: 7-chlorofuro[2,3-d]pyridazine
• Synonyms: 7-chlorofuro[2,3-d]pyridazine

Database IDs

• MDL Number: MFCD16990684
• PubChem SID: 164325670
• PubChem CID: 23271102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.75914806
• LogD (pH = 7.4): 0.75914866
• Log P: 0.7591487
• Molar Refractivity: 38.4716 cm^3
• Polarizability: 14.930325 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 0.84

Product Information

• Purity: 95%