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171178-44-2

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Basic Information
CAS No.: 171178-44-2
Name: 6-FLUOROPYRIDO[3,4-D]PYRIMIDIN-4-OL
Article Data: 6
Molecular Structure:
Molecular Structure of 171178-44-2 (6-FLUOROPYRIDO[3,4-D]PYRIMIDIN-4-OL)
Formula: C7H4FN3O
Molecular Weight: 165.127
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;
Density: 1.611 g/cm3
Boiling Point: 374.818 °C at 760 mmHg
Flash Point: 180.484 °C
PSA: 58.90000
LogP: 0.86950
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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