5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde

C₁₁H₈FNOCAS 881674-56-2189.19 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₁H₈FNO
Molar mass: 189.19 g/mol
Exact mass: 189.0590 Da
logP: 2.63Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

881674-56-2

SMILES

O=Cc1c[nH]c(-c2ccccc2F)c1

InChIKey

MQULPEUCGKEHEG-UHFFFAOYSA-N

InChI

InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H

Weigh it out

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

Names and synonyms

2 names

1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-
5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde

Work with 5-(2-Fluorophenyl)-1H-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

2'-Fluorobiphenyl-4-carbaldehyde57592-42-454 % similar 3-(2-Fluorophenyl)benzaldehyde676348-33-754 % similar 5-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile1240948-77-953 % similar 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-949 % similar Ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate881674-06-246 % similar 2-Fluorobenzaldehyde446-52-642 % similar 4-Fluoro-3-phenoxybenzaldehyde68359-57-941 % similar 2,2'-Difluoro-1,1'-biphenyl388-82-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook