6-Chloropyrido[3,4-d]Pyrimidin-4(1H)-One
[CAS# 171178-47-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Chloropyridine
• Name: 6-Chloropyrido[3,4-d]Pyrimidin-4(1H)-One
• Synonyms: 6-Chloro-3H-pyrido[3,4-d]pyrimidin-4-one; MFCD11044635
• Molecular Formula: C₇H₄ClN₃O
• Molecular Weight: 181.58
• CAS Registry Number: 171178-47-5
• SMILES: Clc1ncc2N\C=N/C(=O)c2c1
• InChI: 1S/C7H4ClN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3H,(H,10,11,12)
• InChIKey: BBPUOYYUBFLNML-UHFFFAOYSA-N

Properties

• Density: 1.668g/cm³ (Cal.)
• Boiling point: 400.766°C at 760 mmHg (Cal.)
• Flash point: 196.176°C (Cal.)
• Refractive index: 1.749 (Cal.)

Safety Data

• Safety Description: IRRITANT