CAS No.380381-28-2,Methyl 4-iodopyridine-2-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	380381-28-2
Name:	Methyl 4-iodopyridine-2-carboxylate
Article Data:	4

Formula:	C₇H₆INO₂
Molecular Weight:	263.035
Synonyms:	4-Iodopicolinicacid methyl ester;4-Iodopyridine-2-carboxylic acid methyl ester;
Density:	1.844 g/cm³
Melting Point:	70-73 °C
Boiling Point:	327.568 °C at 760 mmHg
Flash Point:	151.908 °C
Hazard Symbols:	Xi
PSA:	39.19000
LogP:	1.47280

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Specification

The IUPAC name of Methyl 4-iodopyridine-2-carboxylate is methyl 4-iodopyridine-2-carboxylate. With the CAS registry number 380381-28-2, it is also named as 4-Iodopicolinicacid methyl ester. The product's categories are Blocks; Carboxes; Iodides; Pyridines; Pyridine Series. Besides, it should be stored in a cold place. In addition, its molecular formula is C₇H₆INO₂ and molecular weight is 263.03.

The other characteristics of Methyl 4-iodopyridine-2-carboxylate can be summarized as: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 180; (8)ACD/KOC (pH 7.4): 180; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 49.024 cm³; (15)Molar Volume: 142.623 cm³; (16)Polarizability: 19.435×10^-24cm³; (17)Surface Tension: 51.399 dyne/cm; (18)Density: 1.844 g/cm³; (19)Flash Point: 151.908 °C; (20)Enthalpy of Vaporization: 56.988 kJ/mol; (21)Boiling Point: 327.568 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Ic1ccnc(c1)C(=O)OC
(2)InChI: InChI=1/C7H6INO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3
(3)InChIKey: HSNLSLNACLYWKJ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H6INO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3
(5)Std. InChIKey: HSNLSLNACLYWKJ-UHFFFAOYSA-N