Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Pyridinecarboxamide,4-chloro- |
EINECS | N/A |
CAS No. | 7418-70-4 | Density | 1.381 g/cm3 |
PSA | 55.98000 | LogP | 1.53420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5ClN2O | Boiling Point | 299.5 °C at 760 mmHg |
Molecular Weight | 156.5697 | Flash Point | 134.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-Chloronicotinamide;NSC527178;4-Chloro-3-pyridinecarboxamide;Nicotinamide,4-chloro- (7CI); |
Article Data | 7 |
This chemical is called 3-Pyridinecarboxamide,4-chloro-, and its IUPAC name is 4-chloropyridine-3-carboxamide. With the molecular formula of C6H5ClN2O, its molecular weight is 156.5697. The CAS registry number of this chemical is 7418-70-4. Additionally, its product category is Pyridines.
Other characteristics of the 3-Pyridinecarboxamide,4-chloro- can be summarised as followings: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 21.86; (6)ACD/KOC (pH 7.4): 21.87; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.2 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 38.16 cm3; (13)Molar Volume: 113.3 cm3; (14)Polarizability: 15.13×10-24cm3; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.381 g/cm3; (17)Flash Point: 134.9 °C; (18)Enthalpy of Vaporization: 53.95 kJ/mol; (19)Boiling Point: 299.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccncc1C(=O)N
2.InChI: InChI=1/C6H5ClN2O/c7-5-1-2-9-3-4(5)6(8)10/h1-3H,(H2,8,10)
3.InChIKey: MJYMDZGWIIUMJV-UHFFFAOYAS