Ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate supplier

Name
Ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
EINECS
CAS No. 800401-62-1
Article Data2
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point
Formula C₁₀H₉ClN₂O₂
Boiling Point 356.784 °C at 760 mmHg
Molecular Weight 224.647
Flash Point 169.577 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ethyl 5-chloro-4H-pyrrolo[3,2-b]pyridine-2-carboxylate;
PSA 54.98000
LogP 2.39300

Ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate Specification

The systematic name of this chemical is Ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate. With the CAS registry number 800401-62-1, it belongs to the product category of Chiral chemicals. And the molecular formula of this chemical is C₁₀H₉ClN₂O₂.

The physical properties of Benzoic acid,4-(pentyloxy)- are as following: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.107; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.86; (6)ACD/KOC (pH 5.5): 2.879; (7)ACD/KOC (pH 7.4): 48.426; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 50.69 Å²; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 56.295 cm³; (14)Molar Volume: 158.201 cm³; (15)Polarizability: 22.317×10^-24cm³; (16)Surface Tension: 48.061 dyne/cm; (17)Density: 1.42 g/cm³; (18)Flash Point: 169.577 °C; (19)Enthalpy of Vaporization: 60.208 kJ/mol; (20)Boiling Point: 356.784 °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)c1cc-2[nH]c(ccc2n1)Cl
(2)InChI: InChI=1/C10H9ClN2O2/c1-2-15-10(14)8-5-7-6(12-8)3-4-9(11)13-7/h3-5,13H,2H2,1H3
(3)InChIKey: KJRHDQHGMZAGOS-UHFFFAOYAH

Product Name

Ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

Ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate Specification

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