C1=CC(=C(C=C1C2=CN=CC(=C2)C=O)Cl)C#N
Name: 2-chloro-4-(5-formyl-3-pyridinyl)benzonitrile
SMILES: C1=CC(=C(C=C1C2=CN=CC(=C2)C=O)Cl)C#N

Molecular Processing

Molecular formula
C13H7ClN2O
Molecular weight
242.66
Exact mass
242.0247
XLogP
3.09
TPSA
53.75
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
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
64.79

Supplementary Information

InChIKey: IPUGCTWPVFERHP-UHFFFAOYSA-N
Synonyme
SCHEMBL746962IPUGCTWPVFERHP-UHFFFAOYSA-N2-Chloro-4-(5-formyl-pyridin-3-yl)-benzonitrile
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