CAS No.72716-80-4,5,6-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72716-80-4
Name:	5,6-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE
Article Data:	20

Formula:	C₈H₈N₂O
Molecular Weight:	148.164
Synonyms:	2-Hydroxy-3-cyano-5,6-dimethylpyridine;2-Hydroxy-5,6-dimethyl-3-pyridinecarbonitrile;3-Cyano-5,6-dimethyl-2(1H)-pyridone;3-Cyano-5,6-dimethylpyrid-2-one;3-Cyano-5,6-dimethylpyridin-2-ol;5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;
Density:	1.16 g/cm³
Melting Point:	270 °C
Boiling Point:	335.6 °C at 760 mmHg
Flash Point:	156.8 °C
PSA:	56.65000
LogP:	0.86338

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Specification

This chemical is called 2-Hydroxy-5,6-dimethylnicotinonitrile, and it can also be named as 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. With the molecular formula of C₈H₈N₂O, its molecular weight is 148.16. The CAS registry number of this chemical is 72716-80-4, and its product category is Nitrile.

Other characteristics of the 2-Hydroxy-5,6-dimethylnicotinonitrile can be summarised as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.26; (8)ACD/KOC (pH 7.4): 33.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 39.88 cm³; (15)Molar Volume: 127.2 cm³; (16)Polarizability: 15.81×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 156.8 °C; (20)Enthalpy of Vaporization: 57.87 kJ/mol; (21)Boiling Point: 335.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#C\C1=C\C(=C(/NC1=O)C)C
2.InChI: InChI=1/C8H8N2O/c1-5-3-7(4-9)8(11)10-6(5)2/h3H,1-2H3,(H,10,11)
3.InChIKey: BUGNNHLZTBPABI-UHFFFAOYAR