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Cas Database |
| Name |
Pyrido[3,4-d]pyrimidin-4(3H)-one,6-fluoro- |
EINECS | N/A |
| CAS No. | 171178-44-2 | Density | 1.611 g/cm3 |
| PSA | 58.90000 | LogP | 0.86950 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H4FN3O | Boiling Point | 374.818 °C at 760 mmHg |
| Molecular Weight | 165.127 | Flash Point | 180.484 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyrido[3,4-d]pyrimidin-4(1H)-one,6-fluoro- (9CI);6-Fluoro-3H-pyrido[3,4-d]pyrimidin-4-one;6-Fluoropyrido[3,4-d]pyrimidin-4(3H)-one; |
Article Data | 6 |
Pyrido[3,4-d]pyrimidin-4(3H)-one,6-fluoro- Specification
The Pyrido[3,4-d]pyrimidin-4(3H)-one,6-fluoro- is an organic compound with the formula C7H4FN3O. The IUPAC name of this chemical is 6-Fluoro-1H-pyrido[3,4-d]pyrimidin-4-one. With the CAS registry number 171178-44-2, it is also named as 6-Fluoropyrido[3,4-d]pyrimidin-4-ol. Besides, its molecular weight is 165.1245632.
Physical properties about Pyrido[3,4-d]pyrimidin-4(3H)-one,6-fluoro- are: (1)ACD/LogP: -0.18; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)Polar Surface Area: 54.35 Å2; (9)Index of Refraction: 1.7; (10)Molar Refractivity: 39.588 cm3; (11)Molar Volume: 102.472 cm3; (12)Polarizability: 15.694×10-24 cm3; (13)Surface Tension: 55.864 dyne/cm; (14)Density: 1.611 g/cm3; (15)Flash Point: 180.484 °C; (16)Enthalpy of Vaporization: 62.226 kJ/mol; (17)Boiling Point: 374.818 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4FN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3H,(H,10,11,12)
(2)InChIKey: IOGOUEZMTPFOKB-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C7H4FN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3H,(H,10,11,12)
(4)Std. InChIKey: IOGOUEZMTPFOKB-UHFFFAOYSA-N
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