Name: 5-Amino-3-methylpyridine-2-carbonitrile
SKU: 252056-70-5

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Basic Information

Molecular Structure:
CAS No.:	252056-70-5
Name:	5-Amino-3-methylpyridine-2-carbonitrile
Article Data:	10

Formula:	C₇H₇N₃
Molecular Weight:	133.15
Synonyms:	2-Pyridinecarbonitrile,5-amino-3-methyl-(9CI);
Density:	1.184 g/cm³
Boiling Point:	370.308 °C at 760 mmHg
Flash Point:	177.756 °C
PSA:	62.70000
LogP:	1.42508

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Specification

The 5-Amino-3-methylpyridine-2-carbonitrile, with CAS registry number 252056-70-5, belongs to the following product category: Pyridine. It has the systematic name of 5-amino-3-methylpyridine-2-carbonitrile. Besides this, it is also called 2-pyridinecarbonitrile, 5-amino-3-methyl-. And the chemical formula of this chemical is C₇H₇N₃.

Physical properties of 5-Amino-3-methylpyridine-2-carbonitrile: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 76; (8)ACD/KOC (pH 7.4): 76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.7 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 37.359 cm³; (15)Molar Volume: 112.465 cm³; (16)Polarizability: 14.81×10^-24cm³; (17)Surface Tension: 61.383 dyne/cm; (18)Enthalpy of Vaporization: 61.719 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(N)cnc1C#N
(2)InChI: InChI=1/C7H7N3/c1-5-2-6(9)4-10-7(5)3-8/h2,4H,9H2,1H3
(3)InChIKey: MXGVUDGLKVQZPB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H7N3/c1-5-2-6(9)4-10-7(5)3-8/h2,4H,9H2,1H3
(5)Std. InChIKey: MXGVUDGLKVQZPB-UHFFFAOYSA-N