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5-Pyrimidinecarbonitrile (40805-79-6)

Identification
Name:5-Pyrimidinecarbonitrile
Synonyms:5-Cyanopyrimidine;
CAS:40805-79-6
Molecular Formula: C5H3N3
Molecular Weight: 105.10
InChI: InChI=1/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
Molecular Structure: (C5H3N3) 5-Cyanopyrimidine;
Properties
Density:1.226 g/cm3
Refractive index:1.541
Specification:

The 5-Cyanopyrimidine, with CAS registry number 40805-79-6, belongs to the following product category: Pyrimidine. Its systematic name and its IUPAC name are the same, which is pyrimidine-5-carbonitrile. And the chemical formula of this chemical is C5H3N3.

Physical properties of 5-Cyanopyrimidine: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 49.57 Å2; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 26.917 cm3; (9)Molar Volume: 85.713 cm3; (10)Polarizability: 10.671×|10-24cm3; (11)Surface Tension: 65.802 dyne/cm; (12)Enthalpy of Vaporization: 47.447 kJ/mol; (13)Vapour Pressure: 0.044 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cncnc1
(2)InChI: InChI=1/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
(3)InChIKey: XVIAPHVAGFEFFN-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
(5)Std. InChIKey: XVIAPHVAGFEFFN-UHFFFAOYSA-N

Safety Data