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CAS No.: | 52833-93-9 |
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Name: | 2-Amino-5-chloropyridine-3-carboxylic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H5ClN2O2 |
Molecular Weight: | 172.571 |
Synonyms: | 2-Amino-5-chloronicotinic acid;2-Amino-5-chloropyridine-3-carboxylic acid; |
Density: | 1.577 g/cm3 |
Boiling Point: | 353.1 °C at 760 mmHg |
Flash Point: | 167.4 °C |
PSA: | 76.21000 |
LogP: | 1.59660 |
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This chemical has the systematic name 2-Amino-5-chloropyridine-3-carboxylic acid. With the CAS registry number 52833-93-9, it is also known as 2-Amino-5-chloronicotinic acid or 3-pyridinecarboxylic acid, 2-amino-5-chloro-. Its molecular formula is C6H5ClN2O2 and its molecular weight is 172.57.
Other characteristics of the 2-Amino-5-chloropyridine-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.18; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 76.21 Å2; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 40.4 cm3; (14)Molar Volume: 109.4 cm3; (15)Polarizability: 16.01×10-24cm3; (16)Surface Tension: 78 dyne/cm; (17)Density: 1.577 g/cm3; (18)Flash Point: 167.4 °C; (19)Enthalpy of Vaporization: 63.11 kJ/mol; (20)Boiling Point: 353.1 °C at 760 mmHg; (21)Vapour Pressure: 1.35E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(Cl)cnc1N
2.InChI: InChI=1/C6H5ClN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11)
3.InChIKey: FYVCCMWINPVVOB-UHFFFAOYAW