chempirical

3-Fluoropyridine-4-carboxylic acid

C6H4FNO2CAS 393-53-3141.10 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
393-53-3
SMILES
C1=CN=CC(=C1C(=O)O)F
InChIKey
POLXLLIQWDBJMD-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-5-3-8-2-1-4(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 3-Fluoropyridine-4-carboxylic 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

Cinchomeronic acid490-11-967 % similar 3-Hydroxy-4-pyridinecarboxylic acid10128-71-961 % similar 3-Bromoisonicotinic acid13959-02-959 % similar 3-Methyl-isonicotinic acid4021-12-959 % similar 3-Aminoisonicotinic acid7579-20-659 % similar 3-Chloroisonicotinic acid88912-27-059 % similar 3-(Trifluoromethyl)isonicotinic acid590371-38-358 % similar 2-Fluorobenzoic acid445-29-456 % 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 2-Fluoronicotinic acid393-55-5 2-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4

Elsewhere

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