4-Bromo-1H-pyrrole-2-carbaldehyde

C₅H₄BrNOCAS 931-33-9174.00 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₄BrNO
Molar mass: 174.00 g/mol
Exact mass: 172.9476 Da
logP: 1.59Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

931-33-9

SMILES

C1=C(NC=C1Br)C=O

InChIKey

RFQYNGQAZZSGFM-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H

Weigh it out

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

Names and synonyms

1 names

4-Bromopyrole-2-carboxaldehyde

Work with 4-Bromo-1H-pyrrole-2-carbaldehyde

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-Bromoisophthalaldehyde120173-41-343 % similar 3,5-Dibromobenzaldehyde56990-02-443 % similar 6-Bromoindole-3-carbaldehyde17826-04-942 % similar 5-Bromoindole-3-carboxaldehyde877-03-242 % similar 5-Bromo-3-fluoro-1,2-dihydropyridin-2-one156772-63-339 % similar 5-Bromopyridine-2,3-diol34206-49-039 % similar 5-Bromo-3-iodopyridin-2-ol381233-75-639 % similar 5-Bromo-3-chloro-2-hydroxypyridine58236-70-739 % similar

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

Same formula

5-Bromo-2-hydroxypyridine13466-38-1 3-Bromo-2(1H)-pyridinone13466-43-8 4-Bromopyridine N-oxide14248-50-1 4-Bromopyridin-3-ol161417-28-3 3-Bromopyridine oxide2402-97-3 6-Bromo-2(1H)-pyridinone27992-32-1 4-Bromopyridin-2-ol36953-37-4 2-Bromo-4-hydroxypyridine36953-40-9

Elsewhere

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