Name: 5-(2-THIENYL)NICOTINIC ACID
SKU: 306934-96-3

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Basic Information

Molecular Structure:
CAS No.:	306934-96-3
Name:	5-(2-THIENYL)NICOTINIC ACID

Formula:	C₁₀H₇NO₂S
Molecular Weight:	205.23
Synonyms:	5-(Thiophen-2-yl)nicotinicacid;5-(Thiophen-2-yl)pyridine-3-carboxylic acid;5-thiophen-2-ylpyridine-3-carboxylic acid;3-pyridinecarboxylic acid, 5-(2-thienyl)-;
Density:	1.368 g/cm³
Melting Point:	261ºC
Boiling Point:	423.8 °C at 760 mmHg
Flash Point:	210.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	78.43000
LogP:	2.50830

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Specification

The 3-Pyridinecarboxylicacid, 5-(2-thienyl)-, with the CAS registry number 306934-96-3, has the systematic name of 5-thiophen-2-ylpyridine-3-carboxylic acid. It belongs to the folloeing product categories: Carboxylic Acids; Pyridines; Carboxylic Acids. And the molecular formula of the chemical is C₁₀H₇NO₂S.

The characteristics of 3-Pyridinecarboxylicacid, 5-(2-thienyl)- are as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 54.25 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 21.5×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 210.1 °C; (20)Enthalpy of Vaporization: 71.5 kJ/mol; (21)Boiling Point: 423.8 °C at 760 mmHg; (22)Vapour Pressure: 6.12E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c2cncc(c1sccc1)c2
(2)InChI: InChI=1/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13)
(3)InChIKey: DFWKRZGYBOVSKW-UHFFFAOYAR