6-Nitroquinoline
Properties
- Molecular formula
- C9H6N2O2
- Molar mass
- 174.16 g/mol
- Exact mass
- 174.0429 Da
- Melting point
- 153.5 °C
- Boiling point
- 170 °C
- logP
- 2.14Crippen estimate
- Polar surface area
- 56.0 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed90.9% of notifiers
- H312 Harmful in contact with skin90.9% of notifiers
- H332 Harmful if inhaled90.9% of notifiers
- H351 Suspected of causing cancer88.6% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
613-50-3SMILES
O=[N+]([O-])c1ccc2ncccc2c1InChIKey
SMHPLBXIVNQFBA-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Quinoline, 6-nitro-
- NSC 4141
Work with 6-Nitroquinoline
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
2-Nitronaphthalene581-89-559 % similar
2-Methyl-6-nitroquinoline613-30-955 % similar
2-Chloro-4-nitropyridine23056-36-250 % similar
6-Nitrobenzothiazole2942-06-550 % similar
5-Nitrobenzimidazole94-52-050 % similar
1,3-Dinitrobenzene99-65-048 % similar
5-Nitro-1,10-phenanthroline4199-88-648 % similar
2-(4-Nitrophenyl)pyridine4282-47-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.