5-Nitro-1,10-phenanthroline

C₁₂H₇N₃O₂CAS 4199-88-6225.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₇N₃O₂
Molar mass: 225.21 g/mol
Exact mass: 225.0538 Da
Melting point: 202 °C
logP: 2.69Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

4199-88-6

SMILES

O=[N+]([O-])c1cc2cccnc2c2ncccc12

InChIKey

PDDBTWXLNJNICS-UHFFFAOYSA-N

InChI

InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1,10-Phenanthroline, 5-nitro-
5-Nitro-1,10-diazaphenanthrene
5-Nitro-o-phenanthroline
NSC 4263

Work with 5-Nitro-1,10-phenanthroline

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

8-Nitroquinoline607-35-262 % similar Nitroxoline4008-48-459 % similar 6-Methoxy-8-nitroquinoline85-81-457 % similar 5-Nitroquinoline607-34-153 % similar 3-Nitro-7-azaindole23709-47-950 % similar 5-Methyl-1,10-phenanthroline3002-78-649 % similar 5-Bromo-1,10-phenanthroline40000-20-249 % similar 5-Chloro-1,10-phenanthroline4199-89-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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