Basic information
- Name:
2-Pyridinecarboxylicacid, 6-fluoro-
- Superlist Name:
- 2-Fluoropyridine-6-carboxylic acid
- CAS No.:
402-69-7
- Molecular Structure:
- Formula:
- C6H4FNO2
- Molecular Weight:
- 141.0999
- Synonyms:
- Picolinicacid, 6-fluoro- (8CI);2-Fluoro-6-pyridinecarboxylic acid;6-Fluoropicolinicacid;6-Fluoropyridine-2-carboxylic acid;NSC 16023;
- Density:
- 1.419 g/cm3
- Melting Point:
- 139-143 °C(lit.)
- Boiling Point:
- 306.3 °C at 760 mmHg
- Flash Point:
- 139 °C
- Appearance:
- White powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The 2-Fluoropyridine-6-carboxylic acid is an organic compound with the formula C6H4FNO2. The systematic name of this chemical is 6-fluoropyridine-2-carboxylic acid. With the CAS registry number 402-69-7, it is also named as 2-Pyridinecarboxylic acid, 6-fluoro-. The product's categories are Pharmacetical; Pyridine Series; Carboxylic Acids; Pyridines; Pyridine; Carboxylic Acids; Boronic Acid; Picolinic Acid Series.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 31.26 cm3; (13)Molar Volume: 99.3 cm3; (14)Polarizability: 12.39×10-24 cm3; (15)Surface Tension: 54.9 dyne/cm; (16)Density: 1.419 g/cm3; (17)Flash Point: 139 °C ; (18)Enthalpy of Vaporization: 57.74 kJ/mol; (19)Boiling Point: 306.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000339 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(nc(c1)F)C(=O)O
2. InChI:InChI=1/C6H4FNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
3. InChIKey:DIEMCUFYSOEIDU-UHFFFAOYAM
4. Std. InChI:InChI=1S/C6H4FNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
5. Std. InChIKey:DIEMCUFYSOEIDU-UHFFFAOYSA-N
