5-chloro-4-(dimethoxymethyl)-2,3-dimethoxypyridine

• ChemBase ID: 65599
• Molecular Formular: C10H14ClNO4
• Molecular Mass: 247.67546
• Monoisotopic Mass: 247.06113561
• SMILES: c1(cnc(c(c1C(OC)OC)OC)OC)Cl
• Canonical SMILES: COC(c1c(Cl)cnc(c1OC)OC)OC
• InChI: InChI=1S/C10H14ClNO4/c1-13-8-7(10(15-3)16-4)6(11)5-12-9(8)14-2/h5,10H,1-4H3
• InChIKey: FQQJYWSZCTUPIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-(dimethoxymethyl)-2,3-dimethoxypyridine
• IUPAC Traditional name: 5-chloro-4-(dimethoxymethyl)-2,3-dimethoxypyridine
• Synonyms: 5-Chloro-4-(dimethoxymethyl)-2,3-dimethoxypyridine

Database IDs

• MDL Number: MFCD20487039
• PubChem SID: 162031338
• PubChem CID: 71299100

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7934064
• LogD (pH = 7.4): 1.7934123
• Log P: 1.7934123
• Molar Refractivity: 59.294 cm^3
• Polarizability: 23.376862 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%