2-Amino-3-pyridinecarboxaldehyde

C6H6N2OCAS 7521-41-7122.13 g/mol

Open in Covalent MOL file
NNH2O
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

Warning
Irritant (GHS07)

Aggregated from 50 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
7521-41-7
SMILES
C1=CC(=C(N=C1)N)C=O
InChIKey
NXMFJCRMSDRXLD-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c7-6-5(4-9)2-1-3-8-6/h1-4H,(H2,7,8)

Weigh it out

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

Names and synonyms

1 names
  • 3-Pyridinecarboxaldehyde, 2-amino-

Work with 2-Amino-3-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

2-Bromonicotinaldehyde128071-75-055 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-355 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-755 % similar 2-Methylpyridine-3-carbaldehyde60032-57-755 % similar 8-Quinolinecarboxaldehyde38707-70-953 % similar Quinoline-5-carboxaldehyde22934-41-452 % similar 2-Methoxypyridine-3-carbaldehyde71255-09-950 % similar 2,3-Diaminopyridine452-58-448 % 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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