1H-Pyrrolo(2,3-b)pyridine-2-carbaldehyde

C₈H₆N₂OCAS 394223-03-1146.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₂O
Molar mass: 146.15 g/mol
Exact mass: 146.0480 Da
logP: 1.38Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 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

394223-03-1

SMILES

C1=CC2=C(NC(=C2)C=O)N=C1

InChIKey

ATTNRYFIYJHUOG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-5H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

1H-Pyrrolo[2,3-B]pyridine-2-carboxaldehyde (9ci)

Work with 1H-Pyrrolo(2,3-b)pyridine-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

Indole-2-carboxaldehyde19005-93-753 % similar 2-Methyl-7-azaindole23612-48-851 % similar 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-348 % similar 6-Quinolinecarbaldehyde4113-04-645 % similar Quinoline-7-carbaldehyde49573-30-045 % similar Methyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate394223-02-044 % similar 7-Azaindole-3-carboxaldehyde4649-09-644 % similar 8-Quinolinecarboxaldehyde38707-70-943 % 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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