C1=CC(=NC(=C1)Br)CC#N
CAS: 112575-11-8
Название: 2-(6-bromo-2-pyridinyl)acetonitrile
SMILES: C1=CC(=NC(=C1)Br)CC#N

Molecular Processing

Molecular formula
C7H5BrN2
Molecular weight
197.03
Exact mass
195.9636
XLogP
1.91
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
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
0.143
Molar refractivity
41.25

Supplementary Information

InChIKey: WUYNZPVTHRDYDT-UHFFFAOYSA-N
Синонимы
2-(6-bromopyridin-2-yl)acetonitrileRefChem:459143851-644-1112575-11-8(6-Bromo-pyridin-2-yl)-acetonitrile2-Bromo-6-(cyanomethyl)pyridine(6-bromopyridin-2-yl)acetonitrileMFCD087061742-pyridineacetonitrile, 6-bromo-2-(6-bromo-2-pyridyl)acetonitrileSCHEMBL1249349SCHEMBL30354954(6-bromo-2-pyridyl)acetonitrileDTXSID203490896-bromopyridine-2-yl-acetonitrileWUYNZPVTHRDYDT-UHFFFAOYSA-N(6-Bromo-pyridin-2-yl)acetonitrileAKOS006288579AB48704AS-43103SY037351DB-257841CS-0036385EN300-201712F220471A1-00561InChI=1/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H
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