C1=CC(=C(N=C1)Cl)C#N
CAS: 6602-54-6
Name: 2-chloropyridine-3-carbonitrile
SMILES: C1=CC(=C(N=C1)Cl)C#N

Molecular Processing

Molecular formula
C6H3ClN2
Molecular weight
138.56
Exact mass
137.9985
XLogP
1.61
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.96

Supplementary Information

InChIKey: JAUPUQRPBNDMDT-UHFFFAOYSA-N
Synonyme
2-Chloro-3-cyanopyridine2-Chloronicotinonitrile6602-54-62-Chloropyridine-3-carbonitrile2-Chloro-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 2-chloro-2GQP44MUH22-ChloronicotinoitrileEINECS 229-550-1NSC-73287JAUPUQRPBNDMDT-UHFFFAOYSA-DTXSID00216240NSC 73287RefChem:86515DTXCID00138731229-550-1InChI=1/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3HJAUPUQRPBNDMDT-UHFFFAOYSA-NMFCD000146282-chloro-nicotinonitrile3-Cyano-2-chloropyridine2-Chloro-3-cyano-pyridine2-Chloropyridine-3-carbonitrile (2-Chloronicotinonitrile)NSC732872-chloronicotinitrile2chloronicotinonitrile2-chloronicotinnitrile2-chloro-nictinonitrileMirtazapine Impurity 30UNII-2GQP44MUH2
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