chempirical

2-Hydroxy-4-pyridinecarboxaldehyde

C6H5NO2CAS 188554-13-4123.11 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 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
188554-13-4
SMILES
C1=CNC(=O)C=C1C=O
InChIKey
IDDXMCNSHNXTRS-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2/c8-4-5-1-2-7-6(9)3-5/h1-4H,(H,7,9)

Weigh it out

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

Work with 2-Hydroxy-4-pyridinecarboxaldehyde

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

Indole-5-carboxaldehyde1196-69-650 % similar Indole-6-carboxaldehyde1196-70-950 % similar 2-Hydroxy-4-methylpyridine13466-41-648 % similar 4-Bromopyridin-2-ol36953-37-447 % similar 4-Amino-1,2-dihydropyridin-2-one38767-72-547 % similar 4-Chloro-2-hydroxypyridine40673-25-447 % similar 2,4-Dihydroxypyridine84719-31-347 % similar Pyrrole-3-carboxaldehyde7126-39-845 % similar

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

Same formula

4-Nitrosophenol104-91-6 6-Oxo-1,6-dihydropyridine-3-carboxaldehyde106984-91-2 3-Hydroxyisonicotinaldehyde1849-54-3 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-4 2-Hydroxynicotinaldehyde36404-89-4 Nitrobenzene-D54165-60-0 Isonicotinic acid55-22-1 Niacin59-67-6

Elsewhere

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