2-Amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile
[CAS 68302-12-5]

Identification

• Name: 2-Amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile
• Synonyms: 2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile; 2-Amino-6-isopropyl-10-oxo-10H-9-oxa-1-aza-anthracene-3-carbonitrile; 2-amino-7-(methylethyl)-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
• Molecular Formula: C₁₆H₁₃N₃O₂
• Molecular Weight: 279.29
• CAS Registry Number: 68302-12-5
• SMILES: O=C1c3cc(ccc3Oc2nc(c(C#N)cc12)N)C(C)C
• InChI: 1S/C16H13N3O2/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-17)15(18)19-16(12)21-13/h3-6,8H,1-2H3,(H2,18,19)
• InChIKey: ZFMOBKNMVOXMMZ-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 532.636°C at 760 mmHg (Cal.)
• Flash point: 275.928°C (Cal.)