CAS No.770-08-1,5-ETHYLPYRIDINE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	770-08-1
Name:	5-ETHYLPYRIDINE-2-CARBOXYLIC ACID
Article Data:	1

Formula:	C₈H₉NO₂
Molecular Weight:	151.165
Synonyms:	Picolinicacid, 5-ethyl- (6CI,7CI,8CI);5-Ethyl-2-picolinic acid;5-Ethyl-2-pyridinecarboxylic acid;5-Ethylpicolinic acid;2-pyridinecarboxylic acid, 5-ethyl-;2-Pyridinecarboxylic acid, 5-ethyl- (9CI);5-Ethylpicolinic acid;picolinic acid, 5-ethyl-;
Density:	1.18 g/cm³
Melting Point:	94-96oC
Boiling Point:	306.3 °C at 760 mmHg
Flash Point:	139 °C
PSA:	50.19000
LogP:	1.34220

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Specification

The 2-Pyridinecarboxylicacid, 5-ethyl-, with the CAS registry number 770-08-1, has the systematic name and IUPAC name of 5-ethylpyridine-2-carboxylic acid. It is a kind of brown solid, and belongs to the following product categories: Carboxylicacid; Glycinescaffold; Pharmacetical; API intermediates; Aromatics Compounds; Aromatics; Heterocycles; Pyridines. And the molecular formula of the chemical is C₈H₉NO₂.

The characteristics of 2-Pyridinecarboxylicacid, 5-ethyl- are as followings: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.45; (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: 39.19 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 40.82 cm³; (15)Molar Volume: 128 cm³; (16)Polarizability: 16.18×10^-24cm³; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 139 °C; (20)Enthalpy of Vaporization: 57.73 kJ/mol; (21)Boiling Point: 306.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00034 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ncc(cc1)CC
(2)InChI: InChI=1/C8H9NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h3-5H,2H2,1H3,(H,10,11)
(3)InChIKey: SHCDHIRSCJOUBW-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	125mg/kg (125mg/kg)		Chemical and Pharmaceutical Bulletin. Vol. 17, Pg. 2377, 1969.