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

C₇H₆N₂CAS 272-49-1118.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
Melting point: 127–128 °C
logP: 1.56Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation80% of notifiers
H318 Causes serious eye damage20% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

272-49-1

SMILES

c1cnc2cc[nH]c2c1

InChIKey

XWIYUCRMWCHYJR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

1,4-Diazaindene
4-Azaindole

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

Pyrrolopyrimidine272-50-448 % similar 1H-Pyrazolo(4,3-b)pyridine272-52-648 % similar Benzimidazole51-17-248 % similar 1,5-Naphthyridine254-79-548 % similar 1H-Pyrrolo(2,3-b)pyridine271-63-645 % similar 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-444 % similar 6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-544 % similar 5-Bromo-4-azaindole1000341-51-442 % 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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