Pyrido[3,4-d]pyrimidin-4(3H)-one,6-fluoro- supplier

Name
6-FLUOROPYRIDO[3,4-D]PYRIMIDIN-4-OL
EINECS
CAS No. 171178-44-2
Article Data6
CAS DataBase
Density 1.611 g/cm³
Solubility
Melting Point
Formula C₇H₄FN₃O
Boiling Point 374.818 °C at 760 mmHg
Molecular Weight 165.127
Flash Point 180.484 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 58.90000
LogP 0.86950

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

Product Name

6-FLUOROPYRIDO[3,4-D]PYRIMIDIN-4-OL

Pyrido[3,4-d]pyrimidin-4(3H)-one,6-fluoro- Specification

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