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3726-23-6

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Basic Information
CAS No.: 3726-23-6
Name: NICOTINAMIDE HYDROIODIDE
Molecular Structure:
Molecular Structure of 3726-23-6 (NICOTINAMIDE HYDROIODIDE)
Formula: C6H7IN2O
Molecular Weight: 250.04
Synonyms: 3-Pyridinecarboxamide,monohydriodide (9CI);Nicotinamide, monohydriodide (8CI);Nicotinamidehydriodide;
EINECS: 223-081-6
Boiling Point: 334.4 °C at 760 mmHg
Flash Point: 156 °C
PSA: 55.98000
LogP: 1.87900
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    Molecular Formula: C6H7IN2O Formula Weight: 250.04

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Specification

The 3-Pyridinecarboxamide,hydriodide (1:1), with the CAS registry number 3726-23-6, belongs to the product category Pyridines. It has the IUPAC name of pyridine-3-carboxamide hydroiodide. Moreover, the molecular formula of this chemical is C6H7IN2O.

Other characteristics of the 3-Pyridinecarboxamide,hydriodide (1:1) can be summarised as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.63; (8)ACD/KOC (pH 7.4): 20.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å2; (13)Flash Point: 156 °C; (14)Enthalpy of Vaporization: 57.74 kJ/mol; (15)Boiling Point: 334.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000128 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N)c1cccnc1.I
2.InChI: InChI=1/C6H6N2O.HI/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);1H
3.InChIKey: ITWGXEQHZZFQES-UHFFFAOYAX