Name: 5-BROMO-1H-PYRROLO[2 , 3-B]PYRIDIN-2(3H)-ONE
SKU: 183208-34-6

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Basic Information

Molecular Structure:
CAS No.:	183208-34-6
Name:	5-BROMO-1H-PYRROLO[2 , 3-B]PYRIDIN-2(3H)-ONE
Article Data:	21

Formula:	C₇H₅BrN₂O
Molecular Weight:	213.033
Synonyms:	5-Bromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one;5-Bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-Bromo-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-Bromo-7-azaoxindole;
EINECS:	200-589-5
Density:	1.768 g/cm³
Boiling Point:	387.799 °C at 760 mmHg
Flash Point:	188.335 °C
Safety:	24/25
PSA:	41.99000
LogP:	1.47670

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Specification

The 5-Bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one, with CAS registry number 183208-34-6, belongs to the following product category: Chiral Chemicals. It has the systematic name of 5-bromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one. And the chemical formula of this chemical is C₇H₅BrN₂O.

Physical properties of 5-Bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 55; (8)ACD/KOC (pH 7.4): 55; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.99 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 43.075 cm³; (15)Molar Volume: 120.464 cm³; (16)Polarizability: 17.076×10^-24cm³; (17)Surface Tension: 58.03 dyne/cm; (18)Enthalpy of Vaporization: 63.692 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc2c1CC(=O)N2)Br
(2)InChI: InChI=1/C7H5BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11)
(3)InChIKey: DHPKTHROZFIEJK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H5BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11)
(5)Std. InChIKey: DHPKTHROZFIEJK-UHFFFAOYSA-N