Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Fornyl-3-pyridinecarbonitrile |
EINECS | N/A |
CAS No. | 70416-53-4 | Density | 1.242 g/cm3 |
PSA | 53.75000 | LogP | 0.76578 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4N2O | Boiling Point | 229.342 °C at 760 mmHg |
Molecular Weight | 132.1195 | Flash Point | 92.503 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Formylpyridine-3-carbonitrile;5-Formylpyridine-3-carbonitrile;5-Formylnicotinonitrile; |
Article Data | 7 |
The 5-Fornyl-3-pyridinecarbonitrile with CAS registry number of 70416-53-4 is also called 5-Formylnicotinonitrile. The IUPAC name is 5-formylpyridine-3-carbonitrile. In addition, the formula is C7H4N2O and the molecular weight is 132.1195.
Physical properties about 5-Fornyl-3-pyridinecarbonitrile are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.75 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 34.088 cm3; (15)Molar Volume: 106.401 cm3; (16)Polarizability: 13.513 ×10-24cm3; (17)Surface Tension: 59.695 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 92.503 °C; (20)Enthalpy of Vaporization: 46.595 kJ/mol; (21)Boiling Point: 229.342 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(C=O)cnc1
(2)InChI: InChI=1/C7H4N2O/c8-2-6-1-7(5-10)4-9-3-6/h1,3-5H
(3)InChIKey: RWPAJIVRGSWZAB-UHFFFAOYAY