3-Amino-pyridine-4-carbaldehyde

C₆H₆N₂OCAS 55279-29-3122.13 g/mol

Open in Covalent MOL file

Aldehyde Primary 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 Å²
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

55279-29-3

SMILES

C1=CN=CC(=C1C=O)N

InChIKey

NDEGFXFYOKVWAK-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O/c7-6-3-8-2-1-5(6)4-9/h1-4H,7H2

Weigh it out

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

Names and synonyms

1 names

3-Aminopyridine-4-carboxaldehyde

Work with 3-Amino-pyridine-4-carbaldehyde

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

3-Hydroxyisonicotinaldehyde1849-54-355 % similar 3-Fluoroisonicotinaldehyde40273-47-055 % similar 3-Bromo-4-formylpyridine70201-43-355 % similar 3-Chloro-4-pyridinecarboxaldehyde72990-37-555 % similar 3-Methyl-4-pyridinecarboxaldehyde74663-96-055 % similar 2-Aminobenzaldehyde529-23-752 % similar 4-Chloropyridine-3-carboxaldehyde114077-82-650 % similar 4-Bromopyridine-3-carbaldehyde154105-64-350 % 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

PubChem CAS Common Chemistry NIST WebBook