1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile

C₈H₅N₃CAS 344327-11-3143.15 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₈H₅N₃
Molar mass: 143.15 g/mol
Exact mass: 143.0483 Da
logP: 1.43Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

344327-11-3

SMILES

C1=CNC2=NC=CC(=C21)C#N

InChIKey

HAROKQXDLYCEQV-UHFFFAOYSA-N

InChI

InChI=1S/C8H5N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1-4H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Cyano-7-azaindole

Work with 1H-Pyrrolo(2,3-b)pyridine-4-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

4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile920966-02-558 % 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 4-Cyanoindole16136-52-049 % similar 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-946 % similar 1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-646 % similar

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

Same formula

1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile146767-63-7 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-5 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile4414-89-5 1H-Indazole-3-carbonitrile50264-88-5 1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile517918-95-5 4-Amino-1,2-benzenedicarbonitrile56765-79-8 1H-Indazole-5-carbonitrile74626-47-4 1H-Indazole-4-carbonitrile861340-10-5

Elsewhere

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