3-Pyridinecarboxylicacid, 6-(acetylamino)- supplier

Name
2-ACETAMIDO-5-PYRIDINECARBOXYLIC ACID
EINECS
CAS No. 21550-48-1
Article Data8
CAS DataBase
Density 1.404g/cm³
Solubility
Melting Point 276-278°C
Formula C₈H₈N₂O₃
Boiling Point 484 °C at 760 mmHg
Molecular Weight 180.163
Flash Point 246.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Nicotinicacid, 6-acetamido- (6CI,7CI,8CI);6-(Acetylamino)nicotinic acid;6-(Acetylamino)pyridine-3-carboxylic acid;6-Acetamidonicotinic acid;6-Acetamidopyridine-3-carboxylic acid;NSC 117746;
PSA 79.29000
LogP 0.81120

3-Pyridinecarboxylicacid, 6-(acetylamino)- Specification

The 3-Pyridinecarboxylicacid, 6-(acetylamino)-, with CAS registry number 21550-48-1, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Carboxes; (4)Pyridines. It has the systematic name of 6-(acetylamino)pyridine-3-carboxylic acid. Besides this, it is also called 2-Acetamido-5-pyridinecarboxylic acid. And the chemical formula of this chemical is C₈H₈N₂O₃.

Physical properties of 3-Pyridinecarboxylicacid, 6-(acetylamino)-: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 59.5 Å²; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 45.54 cm³; (13)Molar Volume: 128.2 cm³; (14)Polarizability: 18.05×10^-24cm³; (15)Surface Tension: 67.2 dyne/cm; (16)Density: 1.404 g/cm3; (17)Flash Point: 246.5 °C; (18)Enthalpy of Vaporization: 78.92 kJ/mol; (19)Boiling Point: 484 °C at 760 mmHg; (20)Vapour Pressure: 3.52E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ncc(cc1)C(=O)O)C
(2)InChI: InChI=1/C8H8N2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
(3)InChIKey: RXSLHYTZMIUANX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H8N2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
(5)Std. InChIKey: RXSLHYTZMIUANX-UHFFFAOYSA-N

Product Name

2-ACETAMIDO-5-PYRIDINECARBOXYLIC ACID

3-Pyridinecarboxylicacid, 6-(acetylamino)- Specification

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