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CAS Number: 402-65-3
2-fluoroisonicotinic acid

Structure

2-fluoroisonicotinic acid
Name: 2-fluoroisonicotinic acid
Synonyms:
General Information
Product Number: 402653

CAS Registry Number 402-65-3
Name:
4-​Pyridinecarboxylic acid, 2-​fluoro-
Isonicotinic acid, 2-fluoro- (8CI)
2-Fluoroisonicotinic acid
2-Fluoropyridine-4-carboxylic acid
NSC 402973

 

Chemical Formula: C6H4FNO2
Exact Mass: 141.02
Molecular Weight: 141.10
m/z: 141.02 (100.0%), 142.03 (6.6%)

 

InChI:InChI=1S/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

InChI Key:JMPFWDWYGOWUFP-UHFFFAOYSA-N

Canonical SMILES:C1=CN=C(C=C1C(=O)O)F

 

Thermal Properties Value Condition Note
Melting Point 220-224 °C   (2)IC
Melting Point 195-197 °C   (3)CAS
Melting Point 195-197 °C   (4)CAS
Melting Point 194-196 °C (decomp)   (3)CAS
Melting Point 191-193 °C   (5)CAS

Specification

98%

References
  1. (2) Anderson, Wayne K.; Journal of Medicinal Chemistry 1990, V33(6), P1667-75 CAPLUS
  2. (3) Bobbio, Carla; Journal of Organic Chemistry 2005, V70(8), P3039-3045 CAPLUS
  3. (4) Roe, Arthur; Journal of the American Chemical Society 1949, V71, P4152-3 CAPLUS
  4. (5) Amartey, J. K.; Nuclear Medicine and Biology 2002, V29(8), P817-823 CAPLUS
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