chempirical

6-Hydroxynicotinaldehyde

C6H5NO2CAS 106984-91-2123.11 g/mol

Open in Covalent MOL file
OOHN
Aldehyde

Properties

Molecular formula
C6H5NO2
Molar mass
123.11 g/mol
Exact mass
123.0320 Da
Melting point
220.5–222 °C
logP
0.60Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
106984-91-2
SMILES
O=Cc1ccc(O)nc1
InChIKey
BUMAFTGGYPBHHK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2/c8-4-5-1-2-6(9)7-3-5/h1-4H,(H,7,9)

Weigh it out

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

Names and synonyms

8 names
  • 6-Oxo-1,6-dihydropyridine-3-carboxaldehyde
  • 3-Pyridinecarboxaldehyde, 1,6-dihydro-6-oxo-
  • 1,6-Dihydro-6-oxo-3-pyridinecarboxaldehyde
  • 6-Hydroxy-3-pyridinecarboxaldehyde
  • 2-Oxo-1,2-dihydropyridine-5-carboxaldehyde
  • 2-Hydroxypyridine-5-carboxaldehyde
  • 6-Oxo-1,6-dihydropyridine-3-carbaldehyde
  • 2-Hydroxy-5-formylpyridine

Work with 6-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

2,2'-Bipyridyl-5,5'-dialdehyde135822-72-959 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-453 % similar 2-Chloropyridine-5-carbaldehyde23100-12-153 % similar 6-Methyl-3-pyridinecarboxaldehyde53014-84-953 % similar 6-Aminonicotinaldehyde69879-22-753 % similar 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-748 % similar 6-Methoxy-3-pyridinecarboxaldehyde65873-72-548 % similar 4-Hydroxybenzaldehyde123-08-046 % similar

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

Same formula

4-Nitrosophenol104-91-6 3-Hydroxyisonicotinaldehyde1849-54-3 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-4 2-Hydroxy-4-pyridinecarboxaldehyde188554-13-4 2-Hydroxynicotinaldehyde36404-89-4 Nitrobenzene-D54165-60-0 Isonicotinic acid55-22-1 Niacin59-67-6

Elsewhere

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