Name: Pyridine, 4-fluoro-3-nitro- (9CI)
SKU: 115812-96-9

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Basic Information

Molecular Structure:
CAS No.:	115812-96-9
Name:	Pyridine, 4-fluoro-3-nitro- (9CI)

Formula:	C₅H₃FN₂O₂
Molecular Weight:	142.089
Synonyms:	4-Fluoro-3-nitropyridine;
EINECS:	251-156-6
Density:	1.439 g/cm3
Boiling Point:	235.2 °C at 760 mmHg
Flash Point:	96 °C
PSA:	58.71000
LogP:	1.65210

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Specification

The Pyridine,4-fluoro-3-nitro-, with its CAS registry number 115812-96-9, has the systematic name of 4-fluoro-3-nitropyridine. With the molecular foumula of C₅H₃FN₂O₂, its formula weight is 142.09. Beside, it belongs to the product categories which include Nitro; Pyridine.

The characteristics of Benzenamine,3-(1-pyrrolidinyl)- are as follows: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.82; (8)ACD/KOC (pH 7.4): 30.82; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 30.88 cm³; (15)Molar Volume: 98.7 cm³; (16)Polarizability: 12.24×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.439 g/cm³; (19)Flash Point: 96 °C; (20)Enthalpy of Vaporization: 45.28 kJ/mol; (21)Boiling Point: 235.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0778 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1ccncc1N(=O)=O
(2)InChI:InChI=1/C5H3FN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
(3)InChIKey:ITEDEJJEXBFZGM-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C5H3FN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
(5)Std. InChIKey:ITEDEJJEXBFZGM-UHFFFAOYSA-N