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CAS No.: | 319474-34-5 |
---|---|
Name: | 4-IODO-7-AZAINDOLE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H5IN2 |
Molecular Weight: | 244.035 |
Synonyms: | 4-Iodo-7-AZAINDOLE; |
Density: | 2.083 g/cm3 |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 28.68000 |
LogP: | 2.16750 |
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The 1H-Pyrrolo[2,3-b]pyridine,4-iodo-, with the CAS registry number 319474-34-5, is also known as 4-Iodo-7-azaindole. This chemical's molecular formula is C7H5IN2 and molecular weight is 244.0325. What's more, its systematic name is called 4-Iodo-1H-pyrrolo[2,3-b]pyridine.
Physical properties about 1H-Pyrrolo[2,3-b]pyridine,4-iodo- are: (1)ACD/LogP: 2.98; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 82; (6)ACD/BCF (pH 7.4): 86; (7)ACD/KOC (pH 5.5): 808; (8)ACD/KOC (pH 7.4): 847; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 49.527 cm3; (15)Molar Volume: 117.168 cm3; (16)Polarizability: 19.634×10-24 cm3; (17)Surface Tension: 71.296 dyne/cm; (18)Density: 2.083 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ccnc2nccc12
(2) InChI: InChI=1/C7H5IN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
(3) InChIKey: PCHGYPNRADCIKG-UHFFFAOYAP