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| CAS No.: | 130473-26-6 |
|---|---|
| Name: | 1H-Pyrrolo[2,3-c]pyridine-5-carboxaldehyde (9CI) |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H6N2O |
| Molecular Weight: | 146.148 |
| Synonyms: | 1H-Pyrrolo[2,3-c]pyridine-5-carboxaldehyde (9CI);1H-Pyrrolo[2,3-C]pyridine-5-carbaldehyde;1H-Pyrrolo[2,3-c]pyridine-5-carboxaldehyde |
| Density: | 1.369 g/cm3 |
| Boiling Point: | 353.864 °C at 760 mmHg |
| Flash Point: | 171.762 °C |
| PSA: | 45.75000 |
| LogP: | 1.37540 |
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Specification
The IUPAC name of this chemical is 1H-Pyrrolo[2,3-c]pyridine-5-carboxaldehyde. The CAS registry number is 130473-26-6. In addition, the molecular formula is C8H6N2O and the molecular weight is 146.15. It belongs the classes of Pyridine; Aldehyde. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.85; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 25; (5)ACD/KOC (pH 7.4): 37; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 45.75 Å2; (10)Index of Refraction: 1.747; (11)Molar Refractivity: 43.373 cm3; (12)Molar Volume: 106.761 cm3; (13)Polarizability: 17.194 ×10-24cm3; (14)Surface Tension: 71.011 dyne/cm; (15)Density: 1.369 g/cm3; (16)Flash Point: 171.762 °C; (17)Enthalpy of Vaporization: 59.884 kJ/mol; (18)Boiling Point: 353.864 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc2ccnc2cn1
(2)InChI: InChI=1/C8H6N2O/c11-5-7-3-6-1-2-9-8(6)4-10-7/h1-5,9H
(3)InChIKey: SHTJIHCOCNIHLP-UHFFFAOYAD