5-Bromo-2(1H)-pyrimidinone
Properties
- Molecular formula
- C4H3BrN2O
- Molar mass
- 174.99 g/mol
- Exact mass
- 173.9429 Da
- Melting point
- 241–243 °C
- logP
- 0.94Crippen estimate
- Polar surface area
- 46.0 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
38353-06-9SMILES
Oc1ncc(Br)cn1InChIKey
VTUDATOSQGYWML-UHFFFAOYSA-NInChI
InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2(1H)-Pyrimidinone, 5-bromo-
- 2-Pyrimidinol, 5-bromo-
- 5-Bromo-2-hydroxypyrimidine
- 5-Bromo-2-pyrimidinone
- 2-Oxo-5-bromopyrimidine
- NSC 528730
- 2-Hydroxy-5-bromopyrimidine
- 5-Bromo-1H-pyrimidin-2-one
- 5-Bromopyrimidin-2-ol
Work with 5-Bromo-2(1H)-pyrimidinone
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,5-Dibromopyrimidine32779-37-652 % similar
5-Bromo-2-chloropyrimidine32779-36-550 % similar
5-Bromo-2-hydroxypyridine13466-38-148 % similar
5-Bromo-N,N-dimethylpyrimidin-2-amine38696-21-848 % similar
5-Bromo-2-iodopyrimidine183438-24-648 % similar
5-Chloro-2(1H)-pyrimidinone54326-16-848 % similar
5-Bromo-2-fluoropyrimidine62802-38-448 % similar
5-Bromo-2-methylpyrimidine7752-78-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.