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56960-81-7

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Basic Information
CAS No.: 56960-81-7
Name: 2-AMINO-3-CHLORO-5-NITRO-6-PICOLINE
Molecular Structure:
Molecular Structure of 56960-81-7 (2-AMINO-3-CHLORO-5-NITRO-6-PICOLINE)
Formula: C6H6ClN3O2
Molecular Weight: 187.586
Synonyms: 2-AMINO-3-CHLORO-5-NITRO-6-PICOLINE
Density: 1.501g/cm3
Boiling Point: 313.197 °C at 760 mmHg
Flash Point: 143.217 °C
PSA: 84.73000
LogP: 2.63820
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Specification

The 2-Pyridinamine,3-chloro-6-methyl-5-nitro-, with CAS registry number 56960-81-7, belongs to the following product category: Pyridine. It has the systematic name of 3-chloro-6-methyl-5-nitro-pyridin-2-amine. And the chemical formula of this chemical is C6H6ClN3O2.

Physical properties of 2-Pyridinamine,3-chloro-6-methyl-5-nitro-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.198; (6)ACD/BCF (pH 7.4): 10.198; (7)ACD/KOC (pH 5.5): 183.448; (8)ACD/KOC (pH 7.4): 183.449; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.73 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 44.846 cm3; (15)Molar Volume: 125.005 cm3; (16)Polarizability: 17.778×10-24cm3; (17)Surface Tension: 65.966 dyne/cm; (18)Density: 1.501 g/cm3; (19)Flash Point: 143.217 °C; (20)Enthalpy of Vaporization: 55.426 kJ/mol; (21)Boiling Point: 313.197 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cc(c(n1)N)Cl)[N+](=O)[O-]
(2)InChI: InChI=1/C6H6ClN3O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,1H3,(H2,8,9)
(3)InChIKey: JUXCWOVRMIHTRK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H6ClN3O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,1H3,(H2,8,9)
(5)Std. InChIKey: JUXCWOVRMIHTRK-UHFFFAOYSA-N