2-(4-Fluorophenyl)nicotinaldehyde

C₁₂H₈FNOCAS 885950-17-4201.20 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₂H₈FNO
Molar mass: 201.20 g/mol
Exact mass: 201.0590 Da
logP: 2.70Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

885950-17-4

SMILES

C1=CC(=C(N=C1)C2=CC=C(C=C2)F)C=O

InChIKey

YKTWLDISGWOJSC-UHFFFAOYSA-N

InChI

InChI=1S/C12H8FNO/c13-11-5-3-9(4-6-11)12-10(8-15)2-1-7-14-12/h1-8H

Weigh it out

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

Work with 2-(4-Fluorophenyl)nicotinaldehyde

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-(4-Fluorophenyl)benzaldehyde192863-46-057 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-756 % similar 2-(3-Thienyl)-3-pyridinecarboxaldehyde885950-13-055 % similar 2-Methylpyridine-3-carbaldehyde60032-57-751 % similar 3-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde306936-57-248 % similar 2-Bromonicotinaldehyde128071-75-047 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-347 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-747 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook