5H,6H,7H,8H,9H-Cyclohepta[b]pyridine-5,9-dione

C₁₀H₉NO₂CAS 39713-40-1175.19 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₀H₉NO₂
Molar mass: 175.19 g/mol
Exact mass: 175.0633 Da
logP: 1.63Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39713-40-1

SMILES

C1CC(=O)C2=C(C(=O)C1)N=CC=C2

InChIKey

INMIEUQKQXVBKR-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6H,1,4-5H2

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

Names and synonyms

1 names

7,8-Dihydro-5H-cyclohepta[B]pyridine-5,9(6H)-dione

Work with 5H,6H,7H,8H,9H-Cyclohepta[b]pyridine-5,9-dione

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

5,6,7,8-Tetrahydroquinolinone-553400-41-262 % similar 6,7-Dihydro-5H-quinoline-8-one56826-69-862 % similar 6,7-Dihydro-5H-1-pyridin-5-one28566-14-556 % similar Furo[3,4-b]pyridine-5,7-dione699-98-949 % similar 1-Tetralone529-34-046 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-945 % similar Quinolinic acid339155-13-444 % similar Benzosuberone826-73-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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