Pyrrole-3-carboxaldehyde

C₅H₅NOCAS 7126-39-895.10 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₅H₅NO
Molar mass: 95.10 g/mol
Exact mass: 95.0371 Da
Melting point: 64 °C
logP: 0.83Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7126-39-8

SMILES

O=Cc1cc[nH]c1

InChIKey

CHNYVNOFAWYUEG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

1H-Pyrrole-3-carboxaldehyde
3-Formylpyrrole
1H-Pyrrole-3-carbaldehyde

Work with Pyrrole-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Benzenedicarboxaldehyde623-27-848 % similar 2-Hydroxy-4-pyridinecarboxaldehyde188554-13-445 % similar 4-Methylbenzaldehyde104-87-042 % similar Benzaldehyde100-52-742 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-842 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-641 % similar Isophthalaldehyde626-19-740 % similar 1H-Pyrazole-4-carbaldehyde35344-95-739 % similar

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

Same formula

Pyrrole-2-carboxaldehyde1003-29-8 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 2-Pyridone72762-00-6

Elsewhere

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