COC(=O)C1=C(N=C(C=C1C#N)Cl)Cl
الاسم: methyl 2,6-dichloro-4-cyanopyridine-3-carboxylate
SMILES: COC(=O)C1=C(N=C(C=C1C#N)Cl)Cl

Molecular Processing

Molecular formula
C8H4Cl2N2O2
Molecular weight
231.04
Exact mass
229.965
XLogP
2.05
TPSA
62.98
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.31

Supplementary Information

InChIKey: WJDCXNRZNHAEMV-UHFFFAOYSA-N
مرادفات
SCHEMBL1991056WJDCXNRZNHAEMV-UHFFFAOYSA-NMethyl 2,6-dichloro-4-cyanonicotinate
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