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| CAS No.: | 17965-71-8 |
|---|---|
| Name: | 3-Bromo-1,5-naphthyridine |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C8H5BrN2 |
| Molecular Weight: | 209.04 |
| Synonyms: | 3-Bromo-1,5-naphthyridine |
| Density: | 1.657 g/cm3 |
| Boiling Point: | 289.361 °C at 760 mmHg |
| Flash Point: | 128.801 °C |
| PSA: | 25.78000 |
| LogP: | 2.39230 |
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Specification
The 3-Bromo-1,5-naphthyridine is an organic compound with the formula C8H5BrN2. The IUPAC name of this chemical is 3-bromo-1,5-naphthyridine. With the CAS registry number 17965-71-8, it is also named as 1,5-Naphthyridine, 3-bromo-.
Physical properties about 3-Bromo-1,5-naphthyridine are: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 9; (6)ACD/KOC (pH 5.5): 168; (7)ACD/KOC (pH 7.4): 168; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.685; (11)Molar Refractivity: 47.968 cm3; (12)Molar Volume: 126.182 cm3; (13)Polarizability: 19.016×10-24cm3; (14)Surface Tension: 59.127 dyne/cm; (15)Density: 1.657 g/cm3; (16)Flash Point: 128.801 °C; (17)Enthalpy of Vaporization: 50.746 kJ/mol; (18)Boiling Point: 289.361 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2ncccc2nc1
(2)InChI: InChI=1/C8H5BrN2/c9-6-4-8-7(11-5-6)2-1-3-10-8/h1-5H
(3)InChIKey: DQTDPFYKQAQVJU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H5BrN2/c9-6-4-8-7(11-5-6)2-1-3-10-8/h1-5H
(5)Std. InChIKey: DQTDPFYKQAQVJU-UHFFFAOYSA-N