Pyrido[2,3-d]pyrimidin-4(3H)-one,6-bromo- supplier

Name
6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
EINECS
CAS No. 155690-79-2
Article Data12
CAS DataBase
Density 2.01 g/cm³
Solubility
Melting Point
Formula C₇H₄BrN₃O
Boiling Point 396 °C at 760 mmHg
Molecular Weight 226.032
Flash Point 193.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrido[2,3-d]pyrimidin-4(1H)-one,6-bromo- (9CI);6-Bromopyrido[2,3-d]pyrimidin-4-ol;
PSA 58.64000
LogP 1.08060

Pyrido[2,3-d]pyrimidin-4(3H)-one,6-bromo- Specification

The Pyrido[2, 3-d]pyrimidin-4(3H)-one, 6-bromo-, with the CAS registry number 155690-79-2, is also known as 6-Bromopyrido[2, 3-d]pyrimidin-4-ol. This chemical's molecular formula is C₇H₄BrN₃O and molecular weight is 226.03. What's more, its systematic name is 6-Bromopyrido[2, 3-d]pyrimidin-4(1H)-one.

Physical properties about Pyrido[2, 3-d]pyrimidin-4(3H)-one, 6-bromo- are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.81; (8)ACD/KOC (pH 7.4): 34.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.35 Å²; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 47.27 cm³; (15)Molar Volume: 112.1 cm³; (16)Polarizability: 18.74×10^-24 cm³; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 2.01 g/cm³; (19)Flash Point: 193.3 °C; (20)Enthalpy of Vaporization: 64.63 kJ/mol; (21)Boiling Point: 396 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc2c1c(=O)nc[nH]2)Br
(2) InChI: InChI=1/C7H4BrN3O/c8-4-1-5-6(9-2-4)10-3-11-7(5)12/h1-3H,(H,9,10,11,12)
(3) InChIKey: CEIXKKYHWOYPLV-UHFFFAOYAW

Product Name

6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE

Pyrido[2,3-d]pyrimidin-4(3H)-one,6-bromo- Specification

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