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Name |
3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) |
EINECS | N/A |
CAS No. | 24202-75-3 | Density | 1.458±0.06 g/cm3(Predicted) |
PSA | 96.11000 | LogP | -0.75570 |
Solubility | N/A | Melting Point |
184-185 °C |
Formula | C7H5N2O3- | Boiling Point | 440.6 °C at 760 mmHg |
Molecular Weight | 166.136 | Flash Point | 220.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI);4-carbamoylpyridine-3-carboxylate; |
The 3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) is an organic compound with the formula C7H5N2O3-. The IUPAC name of this chemical is 4-Carbamoylpyridine-3-carboxylate. The CAS registry number of this chemical is 24202-75-3. Besides, its molecular weight is 165.13.
The physical properties of 3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) are: (1)ACD/LogP: -1.41; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 70.5 Å2; (10)Flash Point: 220.3 °C; (11)Enthalpy of Vaporization: 73.54 kJ/mol; (12)Boiling Point: 440.6 °C at 760 mmHg; (13)Vapour Pressure: 1.54E-08 mmHg at 25 °C.
Preparation: this chemical can be prepared by Pyridine-3,4-dicarboxylic acid 4-methyl ester. This reaction will need reagent conc. ammonium hydroxide. The reaction time is 2 days. The yield is about 88.4%.
Uses of 3-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI): it and Diazomethane can be used to produce 4-Carbamoyl-nicotinic acid methyl ester. It will need solvents diethyl ether and methanol. The yield is about 58.3%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])c1c(C(=O)N)ccnc1
(2)InChI: InChI=1/C7H6N2O3/c8-6(10)4-1-2-9-3-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12)/p-1
(3)InChIKey: PUXXPJODVNKSAT-REWHXWOFAC
(4)Std. InChI: InChI=1S/C7H6N2O3/c8-6(10)4-1-2-9-3-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12)/p-1
(5)Std. InChIKey: PUXXPJODVNKSAT-UHFFFAOYSA-M