Ethyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate supplier

Name
ethyl 5-bromo-1H-pyrrolo [2,3-c]pyridine-2-carboxylate
EINECS
CAS No. 800401-70-1
Article Data2
CAS DataBase
Density 1.624 g/cm³
Solubility
Melting Point
Formula C₁₀H₉BrN₂O₂
Boiling Point 427.421 °C at 760 mmHg
Molecular Weight 269.098
Flash Point 212.297 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate;
PSA 54.98000
LogP 2.50210

Ethyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Specification

The CAS registry number of 1H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-bromo-, ethyl ester is 800401-70-1. This chemical's molecular formula is C₁₀H₉BrN₂O₂ and molecular weight is 269.097. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Physical properties about 1H-Pyrrolo[2,3-c]pyridine-2-carboxylicacid, 5-bromo-, ethyl ester are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.895; (4)ACD/LogD (pH 7.4): 2.926; (5)ACD/BCF (pH 5.5): 91.734; (6)ACD/BCF (pH 7.4): 98.492; (7)ACD/KOC (pH 5.5): 865.954; (8)ACD/KOC (pH 7.4): 929.748; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.98 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 60.716 cm³; (15)Molar Volume: 165.68 cm³; (16)Surface Tension: 59.417 dyne/cm; (17)Density: 1.624 g/cm³; (18)Flash Point: 212.297 °C; (19)Enthalpy of Vaporization: 68.239 kJ/mol; (20)Boiling Point: 427.421 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc2cc(ncc2[nH]1)Br
(2) InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)7-3-6-4-9(11)12-5-8(6)13-7/h3-5,13H,2H2,1H3
(3) InChIKey: INZFCWYCQKQUMU-UHFFFAOYAQ

Product Name

ethyl 5-bromo-1H-pyrrolo [2,3-c]pyridine-2-carboxylate

Ethyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Specification

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