4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde

C₈H₅BrN₂OCAS 1000340-35-1225.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₅BrN₂O
Molar mass: 225.04 g/mol
Exact mass: 223.9585 Da
logP: 2.14Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1000340-35-1

SMILES

O=Cc1c[nH]c2nccc(Br)c12

InChIKey

GVJOYNDJFISGTG-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-
4-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carbaldehyde

Work with 4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde

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

4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde918515-16-963 % similar 3,4-Dibromo-7-azaindole1000340-33-962 % similar 4-Bromoindole-3-carboxaldehyde98600-34-155 % similar 7-Azaindole-3-carboxaldehyde4649-09-651 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde908287-21-849 % similar 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine1000340-39-548 % similar 1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-645 % similar 4-Bromopyridine-3-carbaldehyde154105-64-345 % similar

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

Same formula

7-Bromo-1H-quinazolin-4-one194851-16-6 6-Bromoquinazolin-4-ol32084-59-6 6-Bromo-1,2-dihydroquinoxalin-2-one55687-34-8 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-0 6-Bromophthalazin-1(2H)-one75884-70-7 6-Bromo-2(1H)-quinazolinone79885-37-3 7-Bromo-1H-quinoxalin-2-one82031-32-1 6-Bromo-1H-indazole-3-carbaldehyde885271-72-7

Elsewhere

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