5-Bromo-3-pyridinecarboxaldehyde

C6H4BrNOCAS 113118-81-3186.01 g/mol

Open in Covalent MOL file
NBrO
AldehydeAryl halide

Properties

Molecular formula
C6H4BrNO
Molar mass
186.01 g/mol
Exact mass
184.9476 Da
logP
1.66Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
113118-81-3
SMILES
C1=C(C=NC=C1Br)C=O
InChIKey
NGUVGKAEOFPLDT-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO/c7-6-1-5(4-9)2-8-3-6/h1-4H

Weigh it out

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Work with 5-Bromo-3-pyridinecarboxaldehyde

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-Bromoisophthalaldehyde120173-41-358 % similar 3,5-Dibromobenzaldehyde56990-02-458 % similar 3,5-Dibromopyridine625-92-354 % similar 5-Fluoropyridine-3-carbaldehyde39891-04-853 % similar 4-Bromobenzaldehyde1122-91-452 % similar 3-Bromobenzaldehyde3132-99-850 % similar 5-Bromo-3-pyridinol74115-13-248 % similar Pyrimidine-5-carboxaldehyde10070-92-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-pyridinecarboxaldehyde118289-17-1 2-Bromonicotinaldehyde128071-75-0 4-Bromopyridine-2-carbaldehyde131747-63-2 6-Bromo-3-pyridinecarboxaldehyde149806-06-4 4-Bromopyridine-3-carbaldehyde154105-64-3 5-Bromopyridine-2-carbaldehyde31181-90-5 6-Bromopyridine-2-carbaldehyde34160-40-2 3-Bromo-2-pyridinecarboxaldehyde405174-97-2

Elsewhere

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