3-Fluoro-5-hydroxy-2-pyridinecarboxaldehyde

C₆H₄FNO₂CAS 1227515-00-5141.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₆H₄FNO₂
Molar mass: 141.10 g/mol
Exact mass: 141.0226 Da
logP: 0.74Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

1227515-00-5

SMILES

O=Cc1ncc(O)cc1F

InChIKey

OCVRPSROKULOJE-UHFFFAOYSA-N

InChI

InChI=1S/C6H4FNO2/c7-5-1-4(10)2-8-6(5)3-9/h1-3,10H

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Names and synonyms

1 names

2-Pyridinecarboxaldehyde, 3-fluoro-5-hydroxy-

Work with 3-Fluoro-5-hydroxy-2-pyridinecarboxaldehyde

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-Fluoro-4-hydroxybenzaldehyde348-27-649 % similar 2,5-Difluoro-4-hydroxybenzaldehyde918523-99-642 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-540 % similar 2,4,5-Trifluorobenzaldehyde165047-24-539 % similar 5-Chloro-6-fluoro-3-pyridinol209328-72-338 % similar 3,4,5-Trifluorophenol99627-05-138 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-037 % similar 3,5-Dihydroxybenzaldehyde26153-38-836 % similar

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

Same formula

5-Fluoropyridine-2-carboxylic acid107504-08-5 1-Fluoro-2-nitrobenzene1493-27-2 4-Fluoronitrobenzene350-46-9 2-Fluoronicotinic acid393-55-5 2-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4 1-Fluoro-3-nitrobenzene402-67-5 4-Fluoro-2-pyridinecarboxylic acid886371-78-4

Elsewhere

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