5-Bromo-2-pyridineacetonitrile

C7H5BrN2CAS 312325-72-7197.03 g/mol

Open in Covalent MOL file
NBrN
Aryl halideNitrile

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
Melting point
29 °C
logP
1.91Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
312325-72-7
SMILES
N#CCc1ccc(Br)cn1
InChIKey
DPZHKLJPVMYFCU-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3H2

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Names and synonyms

4 names
  • 2-Pyridineacetonitrile, 5-bromo-
  • (5-Bromopyridin-2-yl)acetonitrile
  • 5-Bromopyridine-2-acetonitrile
  • 2-(5-Bromopyridin-2-yl)acetonitrile

Work with 5-Bromo-2-pyridineacetonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-2-pyridinemethanamine173999-23-053 % similar 2-Hydroxymethyl-5-bromopyridine88139-91-753 % similar (4-Bromophenyl)acetonitrile16532-79-952 % similar 2-Pyridineacetonitrile2739-97-150 % similar 5-Bromo-2-pyridinecarbonitrile97483-77-748 % similar 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-546 % similar 2-(5-Bromopyridin-2-yl)acetic acid192642-85-645 % similar 5,5'-Dibromo-2,2'-bipyridine15862-18-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo(1,5-a)pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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