3-Pyridinecarboxylicacid, 5-iodo- supplier

Name
5-IODONICOTINIC ACID
EINECS
CAS No. 15366-65-1
Article Data3
CAS DataBase
Density 2.123 g/cm³
Solubility
Melting Point 224-225℃
Formula C₆H₄INO₂
Boiling Point 376.2 °C at 760 mmHg
Molecular Weight 249.008
Flash Point 181.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinicacid, 5-iodo- (7CI,8CI);5-Iodonicotinic acid;
PSA 50.19000
LogP 1.38440

3-Pyridinecarboxylicacid, 5-iodo- Specification

The 3-Pyridinecarboxylicacid, 5-iodo-, with the CAS registry number 15366-65-1, is also known as 5-Iodonicotinic acid. It belongs to the product categories of Pharmacetical; Pyridines. This chemical's molecular formula is C₆H₄INO₂ and molecular weight is 249.00593. Its IUPAC name is called 5-iodopyridine-3-carboxylic acid.

Physical properties of 3-Pyridinecarboxylicacid, 5-iodo-: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): -0.88; (3)ACD/LogD (pH 7.4): -1.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.677; (12)Molar Refractivity: 44.18 cm³; (13)Molar Volume: 117.2 cm³; (14)Surface Tension: 69.9 dyne/cm; (15)Density: 2.123 g/cm³; (16)Flash Point: 181.3 °C; (17)Enthalpy of Vaporization: 65.81 kJ/mol; (18)Boiling Point: 376.2 °C at 760 mmHg; (19)Vapour Pressure: 2.49E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=NC=C1I)C(=O)O
(2)InChI: InChI=1S/C6H4INO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
(3)InChIKey: UPFHREFMESXXLW-UHFFFAOYSA-N

Product Name

5-IODONICOTINIC ACID

3-Pyridinecarboxylicacid, 5-iodo- Specification

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