chempirical

5-Chloro-3-methyl-2(1H)-pyridinone

C6H6ClNOCAS 58498-61-6143.57 g/mol

Open in Covalent MOL file
ClNHO
Aryl halidePhenol

Properties

Molecular formula
C6H6ClNO
Molar mass
143.57 g/mol
Exact mass
143.0138 Da
Melting point
162–163 °C
logP
1.75Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
58498-61-6
SMILES
Cc1cc(Cl)cnc1O
InChIKey
CBGCPCNUPUGPIF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

4 names
  • 2(1H)-Pyridinone, 5-chloro-3-methyl-
  • 2(1H)-Pyridone, 5-chloro-3-methyl-
  • 5-Chloro-3-methyl-2-pyridone
  • 5-Chloro-3-methylpyridin-2-ol

Work with 5-Chloro-3-methyl-2(1H)-pyridinone

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

3,5-Dichloro-2(1H)-pyridinone5437-33-259 % similar 5-Chloro-2-fluoro-3-methylpyridine375368-84-655 % similar 5-Bromo-3-methyl-2(1H)-pyridinone89488-30-255 % similar 4-Chloro-2,6-dimethylphenol1123-63-348 % similar 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-846 % similar 4-Chloro-2-methylphenol1570-64-544 % similar 2,4-Dichloro-6-methylphenol1570-65-642 % similar 5-Chloro-2(1H)-pyrimidinone54326-16-841 % similar

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

Same formula

(2-Chloropyridin-4-yl)methanol100704-10-7 3-Chloro-2-methoxypyridine13472-84-9 5-Chloro-2-methoxypyridine13473-01-3 2-Chloro-5-methoxypyridine139585-48-1 2-Chloro-6-methoxypyridine17228-64-7 2-Chloro-4-methoxypyridine17228-69-2 4-Amino-3-chlorophenol17609-80-2 2-Amino-5-chlorophenol28443-50-7

Elsewhere

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