Pyrrole-2-carboxaldehyde

C₅H₅NOCAS 1003-29-895.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅NO
Molar mass: 95.10 g/mol
Exact mass: 95.0371 Da
Melting point: 46.5 °C
Boiling point: 218 °C
logP: 0.83Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation97.2% of notifiers

Aggregated from 142 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

1003-29-8

SMILES

O=Cc1ccc[nH]1

InChIKey

ZSKGQVFRTSEPJT-UHFFFAOYSA-N

InChI

InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H

Weigh it out

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

Names and synonyms

13 names · show all

1H-Pyrrole-2-carboxaldehyde
2-Formylpyrrole
Pyrrole-2-aldehyde
2-Pyrrolylcarboxaldehyde
2-Pyrrolecarbaldehyde
2-Pyrrolaldehyde
NSC 112885
NSC 66394
Pyrrole-2-formaldehyde
2-Pyrrolecarboxaldehyde
1H-Pyrrole-2-carbaldehyde
Pyrrol-2-carbaldehyde
Pyrrole-2-carboxyaldehyde

Reactions

2-PYRROLEALDEHYDE (Pyrrole-2-carboxaldehyde)product

Work with Pyrrole-2-carboxaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxynicotinaldehyde36404-89-450 % similar Imidazole-4-carboxaldehyde3034-50-239 % similar 1H-Pyrazole-3-carbaldehyde3920-50-139 % similar Indole-2-carboxaldehyde19005-93-739 % similar Indole-4-carboxaldehyde1074-86-838 % similar Indole-7-carboxaldehyde1074-88-038 % similar Phthalaldehyde643-79-838 % similar 4-Bromo-1H-pyrrole-2-carbaldehyde931-33-937 % similar

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

Same formula

4-Hydroxypyridine108-96-3 3-Hydroxypyridine109-00-2 2-Pyridone142-08-5 3-Oxocyclobutane-1-carbonitrile20249-16-5 4-Hydroxypyridine626-64-2 Pyridine-N-oxide694-59-7 Pyrrole-3-carboxaldehyde7126-39-8 2-Pyridone72762-00-6

Elsewhere

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