Pyrimidine-2-carboxylic acid (31519-62-7)

The Pyrimidine-2-carboxylic acid with cas registry number of 31519-62-7 is a white to off-white solid. It belongs to several categories: APIS & intermediate; pharmacetical; carboxylic acids; pyrazines, pyrimidines & pyridazines. Both its systematic name and IUPAC name are the same which is called pyrimidine-2-carboxylic acid.

The physical properties about this chemical are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -4; (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)Index of Refraction: 1.579; (13)Molar Refractivity: 29.365 cm³; (14)Molar Volume: 88.411 cm³; (15)Surface Tension: 72.181 dyne/cm; (16)Density: 1.404 g/cm³; (17)Flash Point: 173.109 °C; (18)Enthalpy of Vaporization: 64.213 kJ/mol; (19)Boiling Point: 362.624 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ncccn1;
(2)InChI: InChI=1/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9);
(3)InChIKey: ZFCHNZDUMIOWFV-UHFFFAOYAR