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13160-07-1

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Basic Information
CAS No.: 13160-07-1
Name: N-(2-Pyridyl)nicotinamide
Article Data: 17
Molecular Structure:
Molecular Structure of 13160-07-1 (N-(2-Pyridyl)nicotinamide)
Formula: C11H9N3O
Molecular Weight: 199.212
Synonyms: N-(2-Pyridinyl)-3-pyridinecarboxamide;
Density: 1.287 g/cm3
Melting Point: 139-142 °C
Boiling Point: 286.1 °C at 760 mmHg
Flash Point: 127 °C
PSA: 54.88000
LogP: 1.80190
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Specification

The N-(2-Pyridyl)nicotinamide, with the CAS registry number of 13160-07-1, is also known as N-(2-Pyridinyl)-3-pyridinecarboxamide. This chemical's molecular formula is C11H9N3O and molecular weight is 199.212. What's more, its IUPAC name is N-Pyridin-2-ylpyridine-3-carboxamide. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the N-(2-Pyridyl)nicotinamide are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.5; (8)ACD/KOC (pH 7.4): 32.08; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.09 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 57.01 cm3; (15)Molar Volume: 154.7 cm3; (16)Surface Tension: 62.5 dyne/cm; (17)Density: 1.287 g/cm3; (18)Flash Point: 126.8 °C; (19)Enthalpy of Vaporization: 52.52 kJ/mol; (20)Boiling Point: 286.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0027 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(Nc1ncccc1)c2cccnc2
(2) InChI:InChI=1/C11H9N3O/c15-11(9-4-3-6-12-8-9)14-10-5-1-2-7-13-10/h1-8H,(H,13,14,15)
(3) InChIKey:QZNPXKRALPFXPR-UHFFFAOYAW

The toxicity data is as follows：

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.
Link to PubMed