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| CAS No.: | 861881-02-9 |
|---|---|
| Name: | 4-IODO-7-AZA-1H-INDAZOLE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H4IN3 |
| Molecular Weight: | 245.022 |
| Synonyms: | 4-IODO-7-AZA-1H-INDAZOLE |
| EINECS: | 200-589-5 |
| Density: | 2.2±0.1 g/cm3 |
| Boiling Point: | 379.8±22.0 °C at 760 mmHg |
| Flash Point: | 183.5±22.3 °C |
| PSA: | 41.57000 |
| LogP: | 1.56250 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:36 Page 1 of 1 1
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Specification
4-Iodo-1H-pyrazolo[3,4-b]pyridine, with the CAS registry number 861881-02-9, is also named as 1H-Pyrazolo[3,4-b]pyridine, 4-iodo-. This chemical's molecular formula isC6H4IN3 and molecular weight is 245.02. What's more, its systematic name is 4-Iodo-1H-pyrazolo[3,4-b]pyridine.
Physical properties of 4-Iodo-1H-pyrazolo[3,4-b]pyridine are: (1)ACD/LogP: 1.39±0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.65; (6)ACD/BCF (pH 7.4): 6.44; (7)ACD/KOC (pH 5.5): 134.96; (8)ACD/KOC (pH 7.4): 130.82; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.81; (14)Molar Refractivity: 47.6±0.3 cm3; (15)Molar Volume: 110.4±3.0 cm3; (16)Polarizability: 18.9±0.5×10-24cm3; (17)Surface Tension: 84.4±3.0 dyne/cm; (18)Density: 2.2±0.1 g/cm3; (19)Flash Point: 183.5±22.3 °C; (20)Enthalpy of Vaporization: 60.3±3.0 kJ/mol; (21)Boiling Point: 379.8±22.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc2c(c1I)cn[nH]2
(2)Std. InChI: InChI=1S/C6H4IN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10)
(3)Std. InChIKey: PEHWWSPOLYSDBW-UHFFFAOYSA-N