2H-Imidazo[4,5-b]pyridin-2-one,6-bromo-1,3-dihydro- supplier

Name
2H-Imidazo[4,5-b]pyridin-2-one,6-bromo-1,3-dihydro-
EINECS
CAS No. 148038-83-9
Article Data11
CAS DataBase
Density 1.837 g/cm³
Solubility
Melting Point >350 °C
Formula C₆H₄BrN₃O
Boiling Point 189.4 °C at 760 mmHg
Molecular Weight 214.021
Flash Point 68.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Bromo-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one;6-Bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one;
PSA 61.54000
LogP 1.01370

2H-Imidazo[4,5-b]pyridin-2-one,6-bromo-1,3-dihydro- Specification

The 2H-Imidazo[4,5-b]pyridin-2-one,6-bromo-1,3-dihydro-, with the CAS registry number 148038-83-9, is also known as 6-Bromo-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one. This chemical's molecular formula is C₆H₄BrN₃O and molecular weight is 214.02. What's more, its systematic name is 6-bromo-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Physical properties of 2H-Imidazo[4,5-b]pyridin-2-one,6-bromo-1,3-dihydro- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.91; (6)ACD/BCF (pH 7.4): 3.95; (7)ACD/KOC (pH 5.5): 92.13; (8)ACD/KOC (pH 7.4): 93.03; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.44 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 41.81 cm³; (15)Molar Volume: 116.4 cm³; (16)Polarizability: 16.57×10^-24cm³; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.837 g/cm³; (19)Flash Point: 68.4 °C; (20)Enthalpy of Vaporization: 42.56 kJ/mol; (21)Boiling Point: 189.4 °C at 760 mmHg; (22)Vapour Pressure: 0.57 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=NC=C1Br)NC(=O)N2
(2)InChI: InChI=1S/C6H4BrN3O/c7-3-1-4-5(8-2-3)10-6(11)9-4/h1-2H,(H2,8,9,10,11)
(3)InChIKey: VHCRLTJPUNUZRN-UHFFFAOYSA-N

Product Name

2H-Imidazo[4,5-b]pyridin-2-one,6-bromo-1,3-dihydro-

2H-Imidazo[4,5-b]pyridin-2-one,6-bromo-1,3-dihydro- Specification

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