3-Acetoxypyridine

C7H7NO2CAS 17747-43-2137.14 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
Boiling point
92 °C (at 9 Torr)
logP
1.01Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
17747-43-2
SMILES
CC(=O)Oc1cccnc1
InChIKey
QZDWODWEESGPLC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H3

Weigh it out

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Names and synonyms

5 names
  • 3-Pyridinol, 3-acetate
  • 3-Pyridinol, acetate (ester)
  • 3-Pyridinol, acetate
  • NSC 273047
  • 3-Pyridyl acetate

Work with 3-Acetoxypyridine

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

Phenyl acetate122-79-260 % similar Norpyridostigmine51581-32-958 % similar 1,3-Dihydroxybenzene diacetate108-58-758 % similar Hydroquinone diacetate1205-91-055 % similar 3-Methylphenyl acetate122-46-350 % similar 4,4'-Diacetoxybiphenyl32604-29-850 % similar 3-Fluorophenyl acetate701-83-750 % similar 3-Methoxypyridine7295-76-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 5-Methoxypicolinaldehyde22187-96-8 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 6-Methylpyridine-3-carboxylic acid3222-47-7

Elsewhere

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