Home Carboxys 3-Pyridinecarboxylic acid, 2-[(2-fluorophenyl)amino]-

3-Pyridinecarboxylic acid, 2-[(2-fluorophenyl)amino]-

CAS No.:
57978-54-8
Catalog Number:
AG00IAB6
Molecular Formula:
C12H9FN2O2
Molecular Weight:
232.2105
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Product Description
Catalog Number:
AG00IAB6
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(2-fluorophenyl)amino]-
CAS Number:
57978-54-8
Molecular Formula:
C12H9FN2O2
Molecular Weight:
232.2105
MDL Number:
MFCD04621499
IUPAC Name:
2-(2-fluoroanilino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9FN2O2/c13-9-5-1-2-6-10(9)15-11-8(12(16)17)4-3-7-14-11/h1-7H,(H,14,15)(H,16,17)
InChI Key:
APJRFLHMLYOPJK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1Nc1ccccc1F
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.065g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.214g/mol
Monoisotopic Mass:
232.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties