Name: 2,4-DIMETHYL-3-PYRIDINECARBOXYLIC ACID
SKU: 55314-30-2

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Basic Information

Molecular Structure:
CAS No.:	55314-30-2
Name:	2,4-DIMETHYL-3-PYRIDINECARBOXYLIC ACID
Article Data:	5

Formula:	C₈H₉NO₂
Molecular Weight:	151.165
Synonyms:	2,4-Dimethyl-3-carboxypyridine;2,4-Dimethylnicotinic acid;2,4-Dimethylpyridine-3-carboxylic acid;
Density:	1.183 g/cm³
Melting Point:	183-190oC
Boiling Point:	295.9 °C at 760 mmHg
Flash Point:	132.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	50.19000
LogP:	1.39660

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Specification

The 2,4-Dimethyl-3-pyridine carboxylic acid, with CAS registry number 55314-30-2, belongs to the following product categories: (1)Carboxylic Acid; (2)Pharmacetical. It has the systematic name of 2,4-dimethylpyridine-3-carboxylic acid. And the chemical formula of this chemical is C₈H₉NO₂.

Physical properties of 2,4-Dimethyl-3-pyridine carboxylic acid: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): -2; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 40.92 cm³; (15)Molar Volume: 127.7 cm³; (16)Polarizability: 16.22×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 56.57 kJ/mol; (21)Boiling Point: 295.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00067 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2,4-Dimethyl-3-pyridine carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(ccnc1C)C
(2)InChI: InChI=1/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
(3)InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
(5)Std. InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYSA-N