1H-Pyrrolo[2,3-c]pyridine

C₇H₆N₂CAS 271-29-4118.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
Melting point: 137 °C
logP: 1.56Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed92.2% of notifiers
H315 Causes skin irritation88.2% of notifiers
H318 Causes serious eye damage80.4% of notifiers
H335 May cause respiratory irritation86.3% of notifiers

Aggregated from 51 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

271-29-4

SMILES

c1cc2cc[nH]c2cn1

InChIKey

XLKDJOPOOHHZAN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2/c1-3-8-5-7-6(1)2-4-9-7/h1-5,9H

Weigh it out

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

Names and synonyms

3 names

6-Azaindole
1,6-Diazaindene
Harmyrine

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

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

1H-Pyrrolo[3,2-c]pyridine271-34-168 % similar 2,6-Naphthyridin-1-ol80935-77-947 % similar Indole120-72-946 % similar 1H-Pyrazolo[4,3-C]pyridine271-52-345 % similar 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-844 % similar 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-444 % similar Pyrrolopyrimidine272-50-443 % similar 5-Azabenzimidazole272-97-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methylpyridine-2-carbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methylpyridine-2-carbonitrile20970-75-6

Elsewhere

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