C1=CC(=C(C=C1N)C2=C(C=NC=C2)F)Cl
Name: 4-chloro-3-(3-fluoro-4-pyridinyl)aniline
SMILES: C1=CC(=C(C=C1N)C2=C(C=NC=C2)F)Cl

Molecular Processing

Molecular formula
C11H8ClFN2
Molecular weight
222.65
Exact mass
222.036
XLogP
3.12
TPSA
38.91
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
59.05

Supplementary Information

InChIKey: RBEVSGXDHGYYAR-UHFFFAOYSA-N
Synonyme
SCHEMBL4327967RBEVSGXDHGYYAR-UHFFFAOYSA-N4-chloro-3-(3-fluoropyridin-4-yl)benzenamine
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