4-Bromo-3-pyridinecarbonitrile

C₆H₃BrN₂CAS 154237-70-4183.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₃BrN₂
Molar mass: 183.01 g/mol
Exact mass: 181.9480 Da
logP: 1.72Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

154237-70-4

SMILES

N#Cc1cnccc1Br

InChIKey

DMQBJRMKGVMOHX-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

3-Pyridinecarbonitrile, 4-bromo-
4-(Bromo)nicotinonitrile
4-Bromo-3-cyanopyridine
4-Bromopyridine-3-carbonitrile

Work with 4-Bromo-3-pyridinecarbonitrile

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

2-Bromobenzonitrile2042-37-756 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-955 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-050 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 4-Bromo-3-methylpyridine10168-00-045 % similar 2-Bromo-5-fluorobenzonitrile57381-39-244 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-443 % similar 4-Cyanopyridine100-48-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-4-cyanopyridine10386-27-3 6-Bromopyridine-2-carbonitrile122918-25-6 2-Bromo-5-cyanopyridine139585-70-9 3-Bromo-4-cyanopyridine13958-98-0 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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