5-Bromo-1,7-naphthyridin-8(7H)-one

C₈H₅BrN₂OCAS 67967-14-0225.05 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₈H₅BrN₂O
Molar mass: 225.05 g/mol
Exact mass: 223.9585 Da
Melting point: 333–335 °C
logP: 2.10Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 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

67967-14-0

SMILES

Oc1ncc(Br)c2cccnc12

InChIKey

OWSHCBPPPAJVAA-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2O/c9-6-4-11-8(12)7-5(6)2-1-3-10-7/h1-4H,(H,11,12)

Weigh it out

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

Names and synonyms

2 names

1,7-Naphthyridin-8(7H)-one, 5-bromo-
5-Bromo-8-hydroxy-1,7-naphthyridine

Work with 5-Bromo-1,7-naphthyridin-8(7H)-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

5-Bromo-8-hydroxyquinoline1198-14-757 % similar 5,7-Dibromo-8-hydroxyquinoline521-74-456 % similar 3-Bromo-2(1H)-pyridinone13466-43-855 % similar 5-Bromo-1,10-phenanthroline40000-20-250 % similar 5-Bromo-quinolin-8-ylamine53472-18-749 % similar 5-Bromo-1(2H)-isoquinolinone190777-77-647 % similar 5-Chloro-7-bromo-8-hydroxyquinoline7640-33-746 % similar 8-Bromo-5-fluoroquinoline917251-99-145 % similar

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

Same formula

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-1 7-Bromo-1H-quinazolin-4-one194851-16-6 6-Bromoquinazolin-4-ol32084-59-6 6-Bromo-1,2-dihydroquinoxalin-2-one55687-34-8 6-Bromophthalazin-1(2H)-one75884-70-7 6-Bromo-2(1H)-quinazolinone79885-37-3 7-Bromo-1H-quinoxalin-2-one82031-32-1 6-Bromo-1H-indazole-3-carbaldehyde885271-72-7

Elsewhere

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