6-Amino-5-bromo-3-pyridinecarbonitrile

C₆H₄BrN₃CAS 477871-32-2198.02 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₆H₄BrN₃
Molar mass: 198.02 g/mol
Exact mass: 196.9589 Da
logP: 1.30Crippen estimate
Polar surface area: 62.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

477871-32-2

SMILES

N#Cc1cnc(N)c(Br)c1

InChIKey

CKUQTHSGTPGGFK-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrN3/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,(H2,9,10)

Weigh it out

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

Names and synonyms

3 names

3-Pyridinecarbonitrile, 6-amino-5-bromo-
6-Amino-5-bromonicotinonitrile
6-Amino-5-bromopyridine-3-carbonitrile

Work with 6-Amino-5-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

3,5-Dibromo-2-pyridylamine35486-42-153 % similar 2-Amino-3-bromo-5-methylpyridine17282-00-750 % similar 3-Bromo-5-chloropyridin-2-amine26163-03-150 % similar 3-Bromo-5-iodo-2-pyridinamine697300-73-550 % similar 2-Amino-5-bromopyridine-3-carbonitrile709652-82-450 % similar 3-Bromo-5-fluoro-2-pyridinamine869557-43-750 % similar 4-Amino-3-bromobenzonitrile50397-74-549 % similar 2-Amino-3-bromo-5-(trifluoromethyl)-pyridine79456-30-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-3 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-5 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine108281-79-4 6-Bromo-1H-pyrazolo[4,3-b]pyridine1150617-54-1 6-Bromoimidazo[1,2-B]pyridazine1159977-65-7 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-7 5-Bromo-(1,2,4)triazolo(1,5-a)pyridine143329-58-2 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-8

Elsewhere

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