C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)O
CAS: 885588-03-4
Nombre: 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid
SMILES: C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)O

Molecular Processing

Molecular formula
C12H8FIN2O2
Molecular weight
358.11
Exact mass
357.9615
XLogP
3.27
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
73.6

Supplementary Information

InChIKey: LKJJUICFLVYDJQ-UHFFFAOYSA-N
Sinónimos
885588-03-43-((2-Fluoro-4-iodophenyl)amino)isonicotinic acid3-[(2-fluoro-4-iodophenyl)amino]isonicotinic acid3-(2-fluoro-4-iodophenylamino)isonicotinic acidMFCD22575002C12H8FIN2O23-(2-Fluoro-4-iodoanilino)pyridine-4-carboxylic acidPimasertib metabolite M3585EQ329N80I3-((2-Fluoro-4-iodophenyl)amino)pyridine-4-carboxylic acid3-[(2-Fluoro-4-iodophenyl)amino]pyridine-4-carboxylic acid4-Pyridinecarboxylic acid, 3-((2-fluoro-4-iodophenyl)amino)-3-((2-Fluoro-4-iodophenyl)amino)isonicotinicacidUNII-5EQ329N80Iorb3143951SCHEMBL14882383-(2-fluoro-4-iodo-anilino)pyridine-4-carboxylic acidSCHEMBL29413415SCHEMBL29682048DTXSID40730874LKJJUICFLVYDJQ-UHFFFAOYSA-NCS-B0946TYD-03290AKOS016000376DS-5429SB83688SY273434DB-347864W17707F215469
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