C1=CC(=C(C=C1I)F)NC2=CN=C(C=C2C(=O)O)Br
Nombre: 2-bromo-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid
SMILES: C1=CC(=C(C=C1I)F)NC2=CN=C(C=C2C(=O)O)Br

Molecular Processing

Molecular formula
C12H7BrFIN2O2
Molecular weight
437.01
Exact mass
435.872
XLogP
4.03
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
81.3

Supplementary Information

InChIKey: YFKAPGZCQWACMC-UHFFFAOYSA-N
Sinónimos
SCHEMBL2022786YFKAPGZCQWACMC-UHFFFAOYSA-N2-Bromo-5-(2-fluoro-4-iodo-phenylamino)-isonicotinic acid2-bromo-5-[(2-fluoro-4-iodophenyl)amino]isonicotinic acid
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