1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde

C8H6N2OCAS 728034-12-6146.15 g/mol

Open in Covalent MOL file
NHNO
Aldehyde

Properties

Molecular formula
C8H6N2O
Molar mass
146.15 g/mol
Exact mass
146.0480 Da
logP
1.38Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
728034-12-6
SMILES
C1=CNC2=NC=CC(=C21)C=O
InChIKey
IEPOMBHPYZJZNR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O/c11-5-6-1-3-9-8-7(6)2-4-10-8/h1-5H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 7-Azaindole-4-carboxaldehyde

Work with 1H-Pyrrolo[2,3-b]pyridine-4-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

4-Chloro-1H-pyrrolo[2,3-B]pyridine-5-carbaldehyde958230-19-858 % similar 7-Azaindole-3-carboxaldehyde4649-09-657 % similar 4-Iodo-7-azaindole319474-34-550 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-250 % similar 4-Chloro-7-azaindole55052-28-350 % similar 4-Methyl-1H-pyrrolo(2,3-b)pyridine824-24-850 % similar Indole-4-carboxaldehyde1074-86-849 % similar 4-Quinolinecarboxaldehyde4363-93-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-9 Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-4 1(2H)-Phthalazinone119-39-1 2(1H)-Quinoxalinone1196-57-2 2-Cyanobenzamide17174-98-0 1H-Indazole-5-carboxaldehyde253801-04-6 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-7 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)276862-85-2

Elsewhere

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