chempirical

6-Aminonicotinaldehyde

C6H6N2OCAS 69879-22-7122.13 g/mol

Open in Covalent MOL file
NONH2
AldehydePrimary amine

Properties

Molecular formula
C6H6N2O
Molar mass
122.13 g/mol
Exact mass
122.0480 Da
logP
0.48Crippen estimate
Polar surface area
56.0 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
69879-22-7
SMILES
C1=CC(=NC=C1C=O)N
InChIKey
BMNPVMQSUPTGFD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c7-6-2-1-5(4-9)3-8-6/h1-4H,(H2,7,8)

Weigh it out

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Work with 6-Aminonicotinaldehyde

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 2-Aminopyrimidine-5-carbaldehyde120747-84-454 % similar 6-Hydroxynicotinaldehyde106984-91-253 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-453 % similar 2-Chloropyridine-5-carbaldehyde23100-12-153 % similar 6-Methyl-3-pyridinecarboxaldehyde53014-84-953 % similar 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-748 % similar 6-Methoxy-3-pyridinecarboxaldehyde65873-72-548 % similar

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

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 1-(Pyridazin-3-yl)ethan-1-one1122-63-0 Nicotinaldoxime1193-92-6 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 Acetylpyrazine22047-25-2 4-Aminonicotinaldehyde42373-30-8

Elsewhere

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