chempirical

3-Nitropyridine-2-carbaldehyde

C6H4N2O3CAS 10261-94-6152.11 g/mol

Open in Covalent MOL file
NON+OO−
AldehydeNitro

Properties

Molecular formula
C6H4N2O3
Molar mass
152.11 g/mol
Exact mass
152.0222 Da
logP
0.80Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
10261-94-6
SMILES
C1=CC(=C(N=C1)C=O)[N+](=O)[O-]
InChIKey
ZERYBWXKTKFOBF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O3/c9-4-5-6(8(10)11)2-1-3-7-5/h1-4H

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Names and synonyms

1 names
  • 3-Nitropicolinaldehyde

Work with 3-Nitropyridine-2-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-Nitro-2(1H)-pyridinethione38240-29-856 % similar 2-Amino-3-nitropyridine4214-75-956 % similar 2-Chloro-3-nitropyridine5470-18-856 % similar 3-Nitro-2(1H)-pyridinone6332-56-556 % similar 8-Nitroquinoline607-35-254 % similar 5-Nitroquinoline607-34-153 % similar 2-Bromo-6-nitrobenzaldehyde20357-21-549 % similar 2-Chloro-6-nitrobenzaldehyde6361-22-449 % similar

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

Elsewhere

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