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
Hazards
Danger
- H302 Harmful if swallowed97.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage86.7% of notifiers
- H319 Causes serious eye irritation13.3% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
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
4-Chloro-3-nitropyridine hydrochloride54079-68-456 % similar
3-Fluoro-4-nitropyridine13505-01-654 % similar
2-Fluoro-4-methyl-5-nitropyridine19346-47-554 % similar
2-Amino-5-nitro-4-picoline21901-40-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.