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2-Pyridinecarboxylicacid, 3-amino-6-chloro- (866807-27-4)

Identification
Name:2-Pyridinecarboxylicacid, 3-amino-6-chloro-
Synonyms:3-Amino-6-chloropyridine-2-carboxylicacid
CAS:866807-27-4
Molecular Formula: C6H5 Cl N2 O2
Molecular Weight: 172.57
InChI: InChI=1/C6H5ClN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)
Molecular Structure: (C6H5ClN2O2) 3-Amino-6-chloropyridine-2-carboxylicacid
Properties
Flash Point: 203.9 °C
Boiling Point: 413.6 °C at 760 mmHg
Density:1.577
Refractive index:1.66
Specification:

The systematic name of 3-Amino-6-chloropyridine-2-carboxylic acid is 2-pyridinecarboxylic acid, 3-amino-6-chloro-. With the CAS registry number 866807-27-4, it is also named as 3-Amino-6-chloro-2-pyridinecarboxylic acid. The product's molecular formula is C6H5ClN2O2 and its molecular weight is 172.57. 

The other characteristics of 3-Amino-6-chloropyridine-2-carboxylic acid can be summarized as: (1)ACD/LogP: 1.06; (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): 1.33; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 4; (8)H bond donors: 3; (9)Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 40.4 cm3; (13)Molar Volume: 109.4 cm3; (14)Polarizability: 16.01×10-24cm3; (15)Surface Tension: 78 dyne/cm; (16)Density: 1.577 g/cm3; (17)Flash Point: 203.9 °C; (18)Enthalpy of Vaporization: 70.26 kJ/mol; (19)Boiling Point: 413.6 °C at 760 mmHg; (20)Vapour Pressure: 1.39E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(nc(c1N)C(=O)O)Cl
(2)InChI:InChI=1/C6H5ClN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)
(3)InChIKey:TXGSKLHDWJCBDC-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C6H5ClN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)
(5)Std. InChIKey:TXGSKLHDWJCBDC-UHFFFAOYSA-N

Flash Point: 203.9 °C
Safety Data
 

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