Home Aminos 2-[(3-fluorophenyl)amino]nicotinic acid

2-[(3-fluorophenyl)amino]nicotinic acid

CAS No.:
57978-55-9
Catalog Number:
AG00JHRN
Molecular Formula:
C12H9FN2O2
Molecular Weight:
232.2105
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Product Description
Catalog Number:
AG00JHRN
Chemical Name:
2-[(3-fluorophenyl)amino]nicotinic acid
CAS Number:
57978-55-9
Molecular Formula:
C12H9FN2O2
Molecular Weight:
232.2105
MDL Number:
MFCD05241569
IUPAC Name:
2-(3-fluoroanilino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9FN2O2/c13-8-3-1-4-9(7-8)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17)
InChI Key:
HCEHASQDYHUQAD-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Nc1ncccc1C(=O)O
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