CAS Registry Number 13958-98-0
Name:
4-​Pyridinecarbonitrile​, 3-​bromo-
Isonicotinonitrile, 3-bromo- (7CI,8CI)
3-Bromo-4-pyridinecarbonitrile
3-Bromo-4-cyanopyridine
3-Bromoisonicotinonitrile

Chemical Formula: C6H3BrN2
Exact Mass: 181.95
Molecular Weight: 183.01
m/z: 181.95 (100.0%), 183.95 (97.5%), 182.95 (6.5%), 184.95 (6.3%)

InChI:InChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H

InChI Key:VPDIXJCBBUZNPO-UHFFFAOYSA-N

Canonical SMILES:C1=CN=CC(=C1C#N)Br

Specification

98%

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2. (2) Chang, Ching-Yao; Tetrahedron 2009, V65(4), P748-751 CAPLUS
3. (3) Sakamoto, Takao; Chemical & Pharmaceutical Bulletin 1988, V36(5), P1890-4 CAPLUS
4. (4) Palat, Karel; Collection of Czechoslovak Chemical Communications 1967, V32(3), P1191-6 CAPLUS