4-Methyl-3-nitropyridine
Properties
- Molecular formula
- C6H6N2O2
- Molar mass
- 138.13 g/mol
- Exact mass
- 138.0429 Da
- Melting point
- 180–182 °C
- Boiling point
- 85 °C
- logP
- 1.30Crippen estimate
- Polar surface area
- 56.0 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Identifiers
CAS number
5832-44-0SMILES
Cc1ccncc1[N+](=O)[O-]InChIKey
JLNRJMGYBKMDGI-UHFFFAOYSA-NInChI
InChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Pyridine, 4-methyl-3-nitro-
- 4-Picoline, 3-nitro-
- 3-Nitro-4-picoline
Work with 4-Methyl-3-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Methyl-4-nitropyridine1678-53-174 % similar
4-Chloro-3-nitropyridine13091-23-161 % similar
4-Methoxy-3-nitropyridine31872-62-558 % similar
2-Nitrotoluene88-72-256 % similar
3-Fluoro-4-nitropyridine13505-01-654 % similar
4-Methyl-5-nitro-2(1H)-pyridinone21901-41-754 % similar
2-Chloro-4-methyl-5-nitropyridine23056-33-954 % similar
2-Bromo-4-methyl-5-nitropyridine23056-47-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds