The (5-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester is an organic compound with the formula C10H13IN2O2. The IUPAC name of this chemical is tert-butyl N-(5-iodopyridin-2-yl)carbamate. With the CAS registry number 375853-79-5, it is also named as carbamic acid, N-(5-iodo-2-pyridinyl)-, 1,1-dimethylethyl ester. The product's category is Pharmacetical. Additionally, this chemcial should be sealed in the container and stored in the well-ventilated, cool and dry place which must be away from oxidant.
The other characteristics of (5-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester can be summarized as: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 107; (6)ACD/BCF (pH 7.4): 107; (7)ACD/KOC (pH 5.5): 984; (8)ACD/KOC (pH 7.4): 985; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.22 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 67.132 cm3; (15)Molar Volume: 193.744 cm3; (16)Polarizability: 26.613×10-24 cm3; (17)Surface Tension: 49.881 dyne/cm; (18)Enthalpy of Vaporization: 55.741 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C; (20)Rotatable Bond Count: 3; (21)Tautomer Count: 3; (22)Exact Mass: 320.002171; (23)MonoIsotopic Mass: 320.002171; (24)Topological Polar Surface Area: 51.2; (25)Heavy Atom Count: 15; (26)Complexity: 228.
People can use the following data to convert to the molecule structure.
1. SMILES:CC(C)(C)OC(=O)Nc1ccc(I)cn1
2. InChI:InChI=1/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
3. InChIKey:YZLXIVKPYUFJPN-UHFFFAOYAU
4. Std. InChI:InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
5. Std. InChIKey:YZLXIVKPYUFJPN-UHFFFAOYSA-N
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