3-Methoxy-2-nitropyridine

C6H6N2O3CAS 20265-37-6154.13 g/mol

Open in Covalent MOL file
ONN+OO−
EtherNitro

Properties

Molecular formula
C6H6N2O3
Molar mass
154.13 g/mol
Exact mass
154.0378 Da
Melting point
73–75 °C
logP
1.00Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
20265-37-6
SMILES
COc1cccnc1[N+](=O)[O-]
InChIKey
LSXHCFSGOBFNDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.44 (dd, J = 4.9, 1.8 Hz, 1H), 7.58 (dd, J = 7.7, 4.9 Hz, 1H), 7.46 (dd, J = 7.7, 1.8 Hz, 1H), 3.80 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 155.1, 149.9, 143.1, 130.8, 122.5, 56.0.
[M + H]+
[M + H]+ Calcd for C6H7N2O3 155.0451
[M + Na]+
[M + Na]+ Calcd for C6H6N2NaO3 177.0271
[M − H]−
[M − H]− Calcd for C6H5N2O3 153.0306
Elemental analysis
Anal. Calcd for C6H6N2O3: C, 46.76; H, 3.92; N, 18.18.

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Names and synonyms

3 names
  • Pyridine, 3-methoxy-2-nitro-
  • 2-Nitro-3-methoxypyridine
  • 3-(Methyloxy)-2-nitropyridine

Work with 3-Methoxy-2-nitropyridine

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-Ethoxy-2-nitropyridine74037-50-666 % similar o-Nitroanisole91-23-660 % similar 2-Nitro-3-pyridinamine13269-19-758 % similar 3-Methyl-2-nitropyridine18368-73-558 % similar 3-Bromo-2-nitropyridine54231-33-356 % similar 3-Hydroxy-2-nitropyridine15128-08-254 % similar 3-Hydroxy-2-nitropyridine15128-82-254 % similar 3-Chloro-2-nitropyridine54231-32-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-8

Elsewhere

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