3-Fluoro-4-nitropyridine

C₅H₃FN₂O₂CAS 13505-01-6142.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃FN₂O₂
Molar mass: 142.09 g/mol
Exact mass: 142.0179 Da
Boiling point: 62–64 °C (at 5 Torr)
logP: 1.13Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

13505-01-6

SMILES

O=[N+]([O-])c1ccncc1F

InChIKey

DIFITFKCBAVEAX-UHFFFAOYSA-N

InChI

InChI=1S/C5H3FN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H

Weigh it out

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

Names and synonyms

1 names

Pyridine, 3-fluoro-4-nitro-

Work with 3-Fluoro-4-nitropyridine

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

3-Methyl-4-nitropyridine1678-53-159 % similar 1-Fluoro-2-nitrobenzene1493-27-256 % similar 4-Chloro-3-nitropyridine13091-23-156 % similar 4-Methyl-3-nitropyridine5832-44-054 % similar 2,4-Difluoronitrobenzene446-35-551 % similar 4-Chloro-3-nitropyridine hydrochloride54079-68-451 % similar 4-Methoxy-3-nitropyridine31872-62-550 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-nitropyridine1480-87-1 2-Fluoro-4-nitropyridine18614-46-5 2-Fluoro-5-nitropyridine456-24-6 3-Fluoro-2-nitropyridine54231-35-5 5-Fluoro-2-nitropyridine779345-37-8

Elsewhere

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