chempirical

6-Fluoronicotinic acid

C6H4FNO2CAS 403-45-2141.10 g/mol

Open in Covalent MOL file
NOHOF
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4FNO2
Molar mass
141.10 g/mol
Exact mass
141.0226 Da
logP
0.92Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
403-45-2
SMILES
C1=CC(=NC=C1C(=O)O)F
InChIKey
UJDLCTNVHJEBDG-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)

Weigh it out

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

Work with 6-Fluoronicotinic acid

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

[2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-866 % similar 6-Chloronicotinic acid5326-23-865 % similar 2,5-Pyridinedicarboxylic acid100-26-563 % similar 6-Hydroxynicotinic acid5006-66-661 % similar 6,6′-Dithiodinicotinic acid15658-35-259 % similar 6-Methylpyridine-3-carboxylic acid3222-47-759 % similar 6-Bromonicotinic acid6311-35-959 % similar 6-Trifluoromethylnicotinic acid231291-22-859 % similar

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

Same formula

5-Fluoropyridine-2-carboxylic acid107504-08-5 3-Fluoro-5-hydroxy-2-pyridinecarboxaldehyde1227515-00-5 1-Fluoro-2-nitrobenzene1493-27-2 3-Fluoropyridine-2-carboxylic acid152126-31-3 4-Fluoronitrobenzene350-46-9 3-Fluoropyridine-4-carboxylic acid393-53-3 2-Fluoronicotinic acid393-55-5 2-Fluoroisonicotinic acid402-65-3

Elsewhere

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