4,5-Diazafluoren-9-one

C₁₁H₆N₂OCAS 50890-67-0182.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₆N₂O
Molar mass: 182.18 g/mol
Exact mass: 182.0480 Da
logP: 1.69Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50890-67-0

SMILES

C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1

InChIKey

PFMTUGNLBQSHQC-UHFFFAOYSA-N

InChI

InChI=1S/C11H6N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6H

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Work with 4,5-Diazafluoren-9-one

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

1 10-Phenanthroline-5 6-dione 9727318-90-767 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-659 % similar Anthraquinone84-65-155 % similar 2-Pyridyl ketone19437-26-448 % similar Bianthrone434-85-548 % similar Fluorenone486-25-948 % similar 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione4664-00-047 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,8-Diazafluoren-9-one54078-29-4

Elsewhere

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