Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Hydroxymethyl-7-azaindole |
EINECS | 200-589-5 |
CAS No. | 936549-95-0 | Density | 1.36 g/cm3 |
PSA | 48.91000 | LogP | 1.05520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8N2O | Boiling Point | N/A |
Molecular Weight | 148.164 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-HYDROXYMETHYL-7-AZAINDOLE;(1H-pyrrolo[2,3-b]pyridin-4-yl)Methanol;1H-Pyrrolo[2,3-b]pyridine-4-methanol |
Article Data | 2 |
This chemical is called 4-Hydroxymethyl-7-azaindole, and its systematic name is 1H-pyrrolo[2,3-b]pyridin-4-ylmethanol. With the molecular formula of C8H8N2O, its molecular weight is 148.16. The CAS registry number of this chemical is 936549-95-0.
Other characteristics of the 4-Hydroxymethyl-7-azaindole can be summarised as followings: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1.79; (7)ACD/KOC (pH 5.5): 41.49; (8)ACD/KOC (pH 7.4): 52.68; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.91 Å2; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 43.07 cm3; (15)Molar Volume: 108.9 cm3; (16)Polarizability: 17.07×10-24cm3; (17)Surface Tension: 73 dyne/cm; (18)Density: 1.36 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: OCc1ccnc2nccc12
2.InChI: InChI=1/C8H8N2O/c11-5-6-1-3-9-8-7(6)2-4-10-8/h1-4,11H,5H2,(H,9,10)
3.InChIKey: ZMFRPQLVYGJDTN-UHFFFAOYAZ