5-Amino-2-fluoro-isonicotinic acid

C₆H₅FN₂O₂CAS 171178-43-1156.12 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₅FN₂O₂
Molar mass: 156.12 g/mol
Exact mass: 156.0335 Da
logP: 0.50Crippen estimate
Polar surface area: 76.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

171178-43-1

SMILES

C1=C(C(=CN=C1F)N)C(=O)O

InChIKey

DKYUCRYPZALEMP-UHFFFAOYSA-N

InChI

InChI=1S/C6H5FN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

5-Amino-2-fluoroisonicotinic acid

Work with 5-Amino-2-fluoro-isonicotinic 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

5-Amino-2-chloroisonicotinic acid58483-95-764 % similar 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-561 % similar 2,5-Diaminoterephthalic acid945-30-260 % similar 2-Amino-4,5-difluorobenzoic acid83506-93-859 % similar 2-Amino-5-fluorobenzoic acid446-08-254 % similar 2-Amino-4-fluorobenzoic acid446-32-251 % similar 3-Aminoisonicotinic acid7579-20-651 % similar 2-Amino-4,5-dichlorobenzoic acid20776-61-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-nitrobenzenamine17809-36-8 2-Fluoro-5-nitro-6-picoline18605-16-8 2-Fluoro-3-nitro-4-picoline19346-43-1 2-Fluoro-6-methyl-3-nitropyridine19346-45-3 2-Fluoro-3-methyl-5-nitropyridine19346-46-4 2-Fluoro-4-methyl-5-nitropyridine19346-47-5 5-Fluoro-2-nitrobenzenamine2369-11-1 3-Fluoro-5-nitrobenzenamine2369-12-2

Elsewhere

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