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504408-80-4

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Basic Information
CAS No.: 504408-80-4
Name: 2,4-DIPYRIDIN-3-YLPYRIMIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 504408-80-4 (2,4-DIPYRIDIN-3-YLPYRIMIDINE)
Formula: C14H10N4
Molecular Weight: 234.26
Synonyms: 2,4-Dipyridin-3-ylpyrimidine;
Density: 1.214 g/cm3
Boiling Point: 359.367 °C at 760 mmHg
Flash Point: 158.194 °C
PSA: 51.56000
LogP: 2.60060
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Specification

The Pyrimidine, 2, 4-di-3-pyridinyl-, with the CAS registry number 504408-80-4, is also known as 2, 4-Dipyridin-3-ylpyrimidine. This chemical's molecular formula is C14H10N4 and molecular weight is 234.26. What's more, its systematic name is 2, 4-Di(pyridin-3-yl)pyrimidine.

Physical properties about Pyrimidine, 2, 4-di-3-pyridinyl- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 116; (8)ACD/KOC (pH 7.4): 116; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.56 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 67.802 cm3; (15)Molar Volume: 192.898 cm3; (16)Polarizability: 26.879×10-24 cm3; (17)Surface Tension: 57.239 dyne/cm; (18)Density: 1.214 g/cm3; (19)Flash Point: 158.194 °C; (20)Enthalpy of Vaporization: 58.112 kJ/mol; (21)Boiling Point: 359.367 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(ccc1)c2nc(ccn2)c3cccnc3
(2) InChI: InChI=1/C14H10N4/c1-3-11(9-15-6-1)13-5-8-17-14(18-13)12-4-2-7-16-10-12/h1-10H
(3) InChIKey: BKGOHYABGCTECA-UHFFFAOYAR