4-Pyridinecarboxamide,3-bromo- supplier

Name
3-Bromopyridine-4-carboxamide
EINECS 251-156-6
CAS No. 13958-99-1
Article Data1
CAS DataBase
Density 1.71g/cm³
Solubility
Melting Point
Formula C₆H₅BrN₂O
Boiling Point 316.252 °C at 760 mmHg
Molecular Weight 201.023
Flash Point 145.064 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isonicotinamide,3-bromo- (7CI,8CI);
PSA 55.98000
LogP 1.64330

4-Pyridinecarboxamide,3-bromo- Specification

The 4-Pyridinecarboxamide,3-bromo-, with CAS registry number 13958-99-1, belongs to the following product category: Pyridines. It has the systematic name of 3-bromopyridine-4-carboxamide. Besides this, it is also called 3-Bromoisonicotinamide. And the chemical formula of this chemical is C₆H₅BrN₂O.

Physical properties of 4-Pyridinecarboxamide,3-bromo-: (1)ACD/LogP: -0.14; (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): 23; (6)ACD/KOC (pH 7.4): 23; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.98 Å²; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 40.965 cm³; (13)Molar Volume: 117.543 cm³; (14)Polarizability: 16.24×10^-24cm³; (15)Surface Tension: 59.421 dyne/cm; (16)Density: 1.71 g/cm³; (17)Flash Point: 145.064 °C; (18)Enthalpy of Vaporization: 55.756 kJ/mol; (19)Boiling Point: 316.252 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccncc1Br)N
(2)InChI: InChI=1/C6H5BrN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)
(3)InChIKey: YQOHJFWLALWBBP-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H5BrN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)
(5)Std. InChIKey: YQOHJFWLALWBBP-UHFFFAOYSA-N

Product Name

3-Bromopyridine-4-carboxamide

4-Pyridinecarboxamide,3-bromo- Specification

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