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2,6-Pyridinedicarboxylic acid monomethyl ester

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Name

2,6-Pyridinedicarboxylic acid monomethyl ester

EINECS -0
CAS No. 7170-36-7 Density 1.361 g/cm3
PSA 76.49000 LogP 0.56640
Solubility N/A Melting Point 144-146 ºC
Formula C8H7NO4 Boiling Point 392.7 ºC at 760 mmHg
Molecular Weight 181.148 Flash Point 191.3 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7170-36-7 (2,6-Pyridinedicarboxylic acid monomethyl ester) Hazard Symbols IrritantXi
Synonyms

6-[(Methyloxy)carbonyl]-2-pyridinecarboxylic acid;Monomethyl dipicolinate;6-Methoxcarbonylpicolinic acid;6-Carboxy-2-methoxycarbonylpyridine;6-Carbomethoxypyridine-2-carboxylic acid;6-Carbomethoxy-2-picolinic acid;6-(Methoxycarbonyl)pyridine-2-carboxylic acid;2,6-Pyridinedicarboxylic acid, monomethyl ester(8CI,9CI);2,6-Pyridinedicarboxylicacid, methyl ester (6CI,7CI);2,6-Pyridinedicarboxylicacid, 2-methyl ester;

Article Data 3

2,6-Pyridinedicarboxylic acid monomethyl ester Specification

The 2,6-Pyridinedicarboxylic acid monomethyl ester, with the CAS registry number 7170-36-7, is also known as 6-(Methoxycarbonyl)-2-pyridinecarboxylic acid. It belongs to the product category of Pyridine. This chemical's molecular formula is C8H7NO4 and molecular weight is 181.15. What's more, both its IUPAC name and systematic name are the same which is called 6-Methoxycarbonylpyridine-2-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties about 2,6-Pyridinedicarboxylic acid monomethyl ester are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.28; (4)ACD/LogD (pH 7.4): -3.43; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.49 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 43.04 cm3; (15)Molar Volume: 133 cm3; (16)Surface Tension: 58.7 dyne/cm; (17)Density: 1.361 g/cm3; (18)Flash Point: 191.3 °C; (19)Enthalpy of Vaporization: 67.76 kJ/mol; (20)Boiling Point: 392.7 °C at 760 mmHg; (21) Vapour Pressure: 7.18E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1nc(C(=O)O)ccc1
(2) InChI: InChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)
(3) InChIKey: VWIOMFMPIVMLIR-UHFFFAOYSA-N

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