chempirical

2-Hydroxynicotinaldehyde

C6H5NO2CAS 36404-89-4123.11 g/mol

Open in Covalent MOL file
NHOO
Aldehyde

Properties

Molecular formula
C6H5NO2
Molar mass
123.11 g/mol
Exact mass
123.0320 Da
logP
0.19Crippen estimate
Polar surface area
49.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
36404-89-4
SMILES
C1=CNC(=O)C(=C1)C=O
InChIKey
DNTYEVWEOFZXFE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9)

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Names and synonyms

1 names
  • 2-Oxo-1,2-dihydropyridine-3-carbaldehyde

Work with 2-Hydroxynicotinaldehyde

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

Pyrrole-2-carboxaldehyde1003-29-850 % similar Phthalaldehyde643-79-848 % similar 3-Chloro-2-hydroxypyridine13466-35-847 % similar 3-Fluoro-2-hydroxypyridine1547-29-147 % similar 3-Amino-2-pyridinol59315-44-547 % similar 2-Hydroxy-3-methylpyridine91914-04-447 % similar Indole-4-carboxaldehyde1074-86-845 % similar Indole-7-carboxaldehyde1074-88-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitrosophenol104-91-6 6-Hydroxynicotinaldehyde106984-91-2 3-Hydroxyisonicotinaldehyde1849-54-3 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-4 2-Hydroxy-4-pyridinecarboxaldehyde188554-13-4 Nitrobenzene-D54165-60-0 Isonicotinic acid55-22-1 Niacin59-67-6

Elsewhere

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