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CAS No.: | 24334-19-8 |
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Name: | 1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.202 |
Synonyms: | 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester; |
Density: | 1.272 g/cm3 |
Boiling Point: | 371.827 °C at 760 mmHg |
Flash Point: | 178.675 °C |
PSA: | 54.98000 |
LogP: | 1.73960 |
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The Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate, with the CAS registry number 24334-19-8, is also known as 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.07. What's more, its IUPAC name is the same with its product name.
Physical properties about Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 60; (7)ACD/KOC (pH 5.5): 54; (8)ACD/KOC (pH 7.4): 627; (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: 1.628; (14)MolarRefractivity: 53.026 cm3; (15)Molar Volume: 149.495 cm3; (16)Surface Tension: 56.296 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 178.675 °C; (19)Enthalpy of Vaporization: 61.889 kJ/mol; (20)Boiling Point: 371.827 °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)c1cc2ccncc2[nH]1
(2) InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-5-7-3-4-11-6-9(7)12-8/h3-6,12H,2H2,1H3
(3) InChIKey: GWQJRVCTFVYPBK-UHFFFAOYSA-N