2-Chloro-5-hydroxypyrimidine

C₄H₃ClN₂OCAS 4983-28-2130.53 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₄H₃ClN₂O
Molar mass: 130.53 g/mol
Exact mass: 129.9934 Da
logP: 0.84Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation40% of notifiers

Aggregated from 5 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

4983-28-2

SMILES

C1=C(C=NC(=N1)Cl)O

InChIKey

BOGPIHXNWPTGNH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Chloro-5-pyrimidinol

Work with 2-Chloro-5-hydroxypyrimidine

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

2-Bromopyrimidin-5-ol1240621-87-750 % similar 2-Amino-5-hydroxypyrimidine143489-45-650 % similar 2,5-Dichloropyrimidine22536-67-050 % similar 2-Chloro-5-hydroxypyridine41288-96-450 % similar 2,3-Dichloro-5-hydroxypyridine110860-92-946 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-446 % similar 2-Chloro-5-methylpyrimidine22536-61-445 % similar 5-Bromo-2-chloropyrimidine32779-36-545 % 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 6-Chloropyrimidin-4-ol4765-77-9 5-Chloro-2(1H)-pyrimidinone54326-16-8

Elsewhere

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