3-CHLORO-2-PYRAZINE-CARBOXYLIC ACID

The IUPAC name of 3-Chloropyrazine-2-carboxylic acid is 3-chloropyrazine-2-carboxylic acid. With the CAS registry number 27398-39-6, it is also named as . The product's categories are Pharmacetical; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines. In addition, its molecular formula is C₅H₃ClN₂O₂ and its molecular weight is 158.54.

The other characteristics of 3-Chloropyrazine-2-carboxylic acid can be summarized as: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.98; (4)ACD/LogD (pH 7.4): -4.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 34.26 cm³; (15)Molar Volume: 100.3 cm³; (16)Polarizability: 13.58×10^-24cm³; (17)Surface Tension: 73.2 dyne/cm; (18)Density: 1.579 g/cm³; (19)Flash Point: 145.5 °C; (20)Enthalpy of Vaporization: 58.95 kJ/mol; (21)Boiling Point: 317 °C at 760 mmHg; (22)Vapour Pressure: 0.000166 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c1nccnc1Cl
(2)InChI: InChI=1/C5H3ClN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)
(3)InChIKey: PMRPVXLESNMKLG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)
(5)Std. InChIKey: PMRPVXLESNMKLG-UHFFFAOYSA-N