Name: (5-Cyanopyridin-3-yl)-methanol
SKU: 135124-71-9

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Basic Information

Molecular Structure:
CAS No.:	135124-71-9
Name:	(5-Cyanopyridin-3-yl)-methanol
Article Data:	14

Formula:	C₇H₆N₂O
Molecular Weight:	134.137
Synonyms:	3-Pyridinecarbonitrile, 5-(hydroxymethyl)-(9CI);
EINECS:	604-604-1
Density:	1.25 g/cm³
Boiling Point:	315 °C at 760 mmHg
Flash Point:	144.3 °C
PSA:	56.91000
LogP:	0.44558

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Specification

The (5-Cyanopyridin-3-yl)-methanol, with the CAS registry number of 135124-71-9, is also known as 3-Pyridinecarbonitrile, 5-(hydroxymethyl)-(9CI). It belongs to the product category of Pyridine. This chemical's molecular formula is C₇H₆N₂O and molecular weight is 134.14. What's more, its IUPAC name is 5-(Hydroxymethyl)pyridine-3-carbonitrile.

Physical properties about (5-Cyanopyridin-3-yl)-methanol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.16; (5)ACD/KOC (pH 7.4): 10.16; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 56.91 Å²; (10)Index of Refraction: 1.575; (11)Molar Refractivity: 35.27 cm³; (12)Molar Volume: 106.7 cm³; (13)Polarizability: 13.98×10^-24 cm³; (14)Surface Tension: 65.7 dyne/cm; (15)Density: 1.25 g/cm³; (16)Flash Point: 144.3 °C; (17)Enthalpy of Vaporization: 58.72 kJ/mol; (18)Boiling Point: 315 °C at 760 mmHg; (19)Vapour Pressure: 0.00019 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc(C#N)cnc1
(2) InChI: InChI=1/C7H6N2O/c8-2-6-1-7(5-10)4-9-3-6/h1,3-4,10H,5H2
(3) InChIKey: MNMDVGJZONSKMO-UHFFFAOYAJ