2-Pyridinamine,5-bromo-3-(1H-pyrrol-1-yl)- supplier

Name
5-Bromo-3-pyrrol-1-yl-pyridin-2-ylamine
EINECS
CAS No. 155630-03-8
Article Data2
CAS DataBase
Density 1.639 g/cm³
Solubility
Melting Point
Formula C₉H₈BrN₃
Boiling Point 346.673 °C at 760 mmHg
Molecular Weight 238.087
Flash Point 163.462 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-3-(1H-pyrrol-1-yl)pyridin-2-amine;
PSA 43.84000
LogP 2.79820

2-Pyridinamine,5-bromo-3-(1H-pyrrol-1-yl)- Specification

The 2-Pyridinamine,5-bromo-3-(1H-pyrrol-1-yl)-, with the CAS registry number 155630-03-8, has the systematic name of 5-bromo-3-(1H-pyrrol-1-yl)pyridin-2-amine. And the molecular formula of this chemical is C₉H₈BrN₃. It belongs to the following product categories: Pyridine series; Halides; Hyridines.

The physical properties of 2-Pyridinamine,5-bromo-3-(1H-pyrrol-1-yl)- are as following: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 288; (6)ACD/BCF (pH 7.4): 288; (7)ACD/KOC (pH 5.5): 2005; (8)ACD/KOC (pH 7.4): 2005; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.84 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 55.403 cm³; (15)Molar Volume: 145.24 cm³; (16)Polarizability: 21.963×10^-24cm³; (17)Surface Tension: 55.728 dyne/cm; (18)Density: 1.639 g/cm³; (19)Flash Point: 163.462 °C; (20)Enthalpy of Vaporization: 59.087 kJ/mol; (21)Boiling Point: 346.673 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccn(c1)c2cc(cnc2N)Br
(2)InChI: InChI=1/C9H8BrN3/c10-7-5-8(9(11)12-6-7)13-3-1-2-4-13/h1-6H,(H2,11,12)
(3)InChIKey: WCKNBUSVKFPHEW-UHFFFAOYAB

Product Name

5-Bromo-3-pyrrol-1-yl-pyridin-2-ylamine

2-Pyridinamine,5-bromo-3-(1H-pyrrol-1-yl)- Specification

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