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180995-02-2

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Basic Information
CAS No.: 180995-02-2
Name: 2-Amino-5-iodo-4-methylpyridine-3-carbonitrile
Article Data: 2
Molecular Structure:
Molecular Structure of 180995-02-2 (2-Amino-5-iodo-4-methylpyridine-3-carbonitrile)
Formula: C7H6IN3
Molecular Weight: 259.05
Synonyms: 2-Amino-3-cyano-4-methyl-5-iodopyridine;
Density: 1.96 g/cm3
Boiling Point: 360.2 °C at 760 mmHg
Flash Point: 171.6 °C
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Specification

The CAS register number of 2-Amino-3-cyano-4-methyl-5-iodopyridine is 180995-02-2. It also can be called as 3-Pyridinecarbonitrile,2-amino-5-iodo-4-methyl- and the systematic name about this chemical is 2-amino-5-iodo-4-methylpyridine-3-carbonitrile. The molecular formula about this chemical is C7H6IN3 and the molecular weight is 259.05. It belongs to the Pyridine.

Physical properties about 2-Amino-3-cyano-4-methyl-5-iodopyridine are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 3.39; (3)ACD/LogD (pH 7.4): 3.39; (4)ACD/BCF (pH 5.5): 221.35; (5)ACD/BCF (pH 7.4): 221.39; (6)ACD/KOC (pH 5.5): 1660.35; (7)ACD/KOC (pH 7.4): 1660.63; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 39.92Å2; (11)Index of Refraction: 1.686; (12)Molar Refractivity: 50.28 cm3; (13)Molar Volume: 132.1 cm3; (14)Polarizability: 19.93x10-24cm3; (15)Surface Tension: 74.9 dyne/cm; (16)Enthalpy of Vaporization: 60.59 kJ/mol; (17)Boiling Point: 360.2 °C at 760 mmHg; (18)Vapour Pressure: 2.26E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(c(I)cnc1N)C
(2)InChI: InChI=1/C7H6IN3/c1-4-5(2-9)7(10)11-3-6(4)8/h3H,1H3,(H2,10,11)
(3)InChIKey: ZTQHKPCXMQZMFA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H6IN3/c1-4-5(2-9)7(10)11-3-6(4)8/h3H,1H3,(H2,10,11)
(5)Std. InChIKey: ZTQHKPCXMQZMFA-UHFFFAOYSA-N