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Name |
1H-Pyrrolo[3,2-c]pyridine,4-chloro-1-methyl- |
EINECS | N/A |
CAS No. | 27382-01-0 | Density | 1.3 g/cm3 |
PSA | 17.82000 | LogP | 2.22670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7ClN2 | Boiling Point | 312.026 °C at 760 mmHg |
Molecular Weight | 166.61 | Flash Point | 142.509 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-1-methyl-5-azaindole; |
Article Data | 3 |
The 1H-Pyrrolo[3,2-c]pyridine,4-chloro-1-methyl-, with the CAS registry number 27382-01-0, is also known as 4-Chloro-1-methyl-5-azaindole. It belongs to the product categories of Heterocycles series; Fused Ring Systems; Halides. This chemical's molecular formula is C8H7ClN2 and molecular weight is 166.6076. What's more, its systematic name is called 4-Chloro-1-methyl-1H-pyrrolo[3,2-c]pyridine.
Physical properties about 1H-Pyrrolo[3,2-c]pyridine,4-chloro-1-methyl- are: (1)ACD/LogP: 1.88; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 191; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 45.738 cm3; (15)Molar Volume: 128.124 cm3; (16)Polarizability: 18.132×10-24 cm3; (17)Surface Tension: 43.395 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 142.509 °C; (20)Enthalpy of Vaporization: 53.094 kJ/mol; (21)Boiling Point: 312.026 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nccc1c2ccn1C
(2) InChI: InChI=1/C8H7ClN2/c1-11-5-3-6-7(11)2-4-10-8(6)9/h2-5H,1H3
(3) InChIKey: YDHGAILLVNWKRE-UHFFFAOYAU