chempirical

1H-Pyrrolo[2,3-B]pyridine-6-carbonitrile

C8H5N3CAS 189882-33-5143.15 g/mol

Open in Covalent MOL file
NNHN
Nitrile

Properties

Molecular formula
C8H5N3
Molar mass
143.15 g/mol
Exact mass
143.0483 Da
Melting point
187.4 °C
logP
1.43Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
189882-33-5
SMILES
N#Cc1ccc2cc[nH]c2n1
InChIKey
GAFBPZMOMITHLG-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3/c9-5-7-2-1-6-3-4-10-8(6)11-7/h1-4H,(H,10,11)

Weigh it out

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

Work with 1H-Pyrrolo[2,3-B]pyridine-6-carbonitrile

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

2-Quinolinecarbonitrile1436-43-748 % similar 6-Methyl-1H-pyrrolo[2,3-B]pyridine824-51-148 % similar 6-Fluoro-1H-pyrrolo[2,3-B]pyridine898746-42-448 % similar 2,6-Pyridinedicarbonitrile2893-33-643 % similar 1H-Indole-6-carbonitrile15861-36-642 % similar Methyl 7-azaindole-6-carboxylate1256825-86-139 % similar 1H-Pyrrolo[2,3-B]pyridine271-63-638 % similar Indole-5-carbonitrile15861-24-238 % similar

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

Same formula

1H-Pyrrolo[2,3-B]pyridine-3-carbonitrile4414-89-5 1H-Indazole-3-carbonitrile50264-88-5 4-Amino-1,2-benzenedicarbonitrile56765-79-8 3-Ethynylimidazo[1,2-B]pyridazine943320-61-4

Elsewhere

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