5-Fluoronicotinic acid

C6H4FNO2CAS 402-66-4141.10 g/mol

Open in Covalent MOL file
OHONF
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4FNO2
Molar mass
141.10 g/mol
Exact mass
141.0226 Da
Melting point
195–197 °C
logP
0.92Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
402-66-4
SMILES
O=C(O)c1cncc(F)c1
InChIKey
BXZSBDDOYIWMGC-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)

Weigh it out

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Names and synonyms

3 names
  • 3-Pyridinecarboxylic acid, 5-fluoro-
  • Nicotinic acid, 5-fluoro-
  • 5-Fluoro-3-pyridinecarboxylic acid

Work with 5-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

Dinicotinic acid499-81-070 % similar 3,5-Difluorobenzoic acid455-40-362 % similar 5-Bromonicotinic acid20826-04-459 % similar 5-Hydroxynicotinic acid27828-71-359 % similar 5-Chloronicotinic acid22620-27-558 % similar 5-Aminonicotinic acid24242-19-158 % similar 5-Methylnicotinic acid3222-49-958 % similar 5-(Trifluoromethyl)nicotinic acid131747-40-557 % 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-hydroxypicolinaldehyde1227515-00-5 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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