2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester supplier

Name
methyl 3-bromo-4-methyl-5-nitropicolinate
EINECS 200-589-5
CAS No. 1150618-07-7
Density 1.669 g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₂O₄
Boiling Point 377.186 °C at 760 mmHg
Molecular Weight 275.06
Flash Point 181.916 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-bromo-4-methyl-5-nitro-pyridine-2-carboxylate;3-Bromo-4-methyl-5-nitro-pyridine-2-carboxylic acid methyl ester;
PSA 85.01000
LogP 2.37050

2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester Specification

The 2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester, with the CAS registry number 1150618-07-7, is also known as 3-Bromo-4-methyl-5-nitro-pyridine-2-carboxylic acid methyl ester. This chemical's molecular formula is C₈H₇BrN₂O₄ and molecular weight is 275.06. What's more, its systematic name is methyl 3-bromo-4-methyl-5-nitro-pyridine-2-carboxylate.

Physical properties of 2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.697; (4)ACD/LogD (pH 7.4): 1.697; (5)ACD/BCF (pH 5.5): 11.464; (6)ACD/BCF (pH 7.4): 11.464; (7)ACD/KOC (pH 5.5): 199.481; (8)ACD/KOC (pH 7.4): 199.481; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 85.01 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 55.178 cm³; (15)Molar Volume: 164.851 cm³; (16)Polarizability: 21.874×10^-24cm³; (17)Surface Tension: 55.471 dyne/cm; (18)Density: 1.669 g/cm³; (19)Flash Point: 181.916 °C; (20)Enthalpy of Vaporization: 62.492 kJ/mol; (21)Boiling Point: 377.186 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cnc(c1Br)C(=O)OC)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H7BrN2O4/c1-4-5(11(13)14)3-10-7(6(4)9)8(12)15-2/h3H,1-2H3
(3)InChIKey: WDQAQQWKIJKMSZ-UHFFFAOYSA-N

Product Name

methyl 3-bromo-4-methyl-5-nitropicolinate

2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester Specification

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