6-Chloropyrimidin-4-ol

C₄H₃ClN₂OCAS 4765-77-9130.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₃ClN₂O
Molar mass: 130.53 g/mol
Exact mass: 129.9934 Da
logP: 0.42Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
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

4765-77-9

SMILES

C1=C(N=CNC1=O)Cl

InChIKey

AXFABVAPHSWFMD-UHFFFAOYSA-N

InChI

InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)

Weigh it out

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

Names and synonyms

1 names

6-Chloropyrimidin-4(3H)-one

Work with 6-Chloropyrimidin-4-ol

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

4-Hydroxy-6-hydrazinylpyrimidine29939-37-548 % similar 4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-747 % similar 4-Chloro-2-hydroxypyridine40673-25-439 % similar 4,6-Dichloropyrimidine1193-21-138 % similar 5,7-Dichloro-1H-imidazo[4,5-b]pyridine24485-01-637 % similar 4,6-Dichloroimidazo[4,5-C]pyridine2589-12-037 % similar 4-Pyrimidinol51953-18-537 % similar 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-835 % similar

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

Same formula

4-Chloro-3(2H)-pyridazinone1677-79-8 6-Chloropyridazin-3-ol19064-67-6 2-Chloro-5-hydroxypyrimidine4983-28-2 5-Chloro-2(1H)-pyrimidinone54326-16-8

Elsewhere

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