1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

C11H14N2O2CAS 39108-47-9206.24 g/mol

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NHONO
NitrilePhenol

Properties

Molecular formula
C11H14N2O2
Molar mass
206.24 g/mol
Exact mass
206.1055 Da
logP
1.53Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
39108-47-9
SMILES
CCCCn1c(O)cc(C)c(C#N)c1=O
InChIKey
UGNXZCBVIDOPCO-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O2/c1-3-4-5-13-10(14)6-8(2)9(7-12)11(13)15/h6,14H,3-5H2,1-2H3

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Names and synonyms

8 names
  • 3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
  • 1-Butyl-3-cyano-4-methyl-6-hydroxy-2-pyridone
  • 1-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone
  • N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone
  • 1-Butyl-2-hydroxy-4-methyl-5-cyano-6-pyridinone
  • 1-Butyl-3-cyano-6-hydroxy-4-methyl-2(1H)-pyridinone
  • N-Butyl-3-cyano-6-hydroxy-4-methylpyridone
  • 1-Butyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Work with 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile

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

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile28141-13-172 % similar 1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile68612-94-269 % similar 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile27074-03-958 % similar Disperse yellow 231143067-35-039 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-839 % similar 3-Carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-pyridone29097-12-938 % similar 2,4,6-Trimethylbenzonitrile2571-52-034 % similar 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-2 Dimezone S13047-13-7 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-0 1-(4-Nitrophenyl)piperidine6574-15-8 Phenylethylmalonamide7206-76-0 N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-5 3-(Cbz-amino)-azetidine914348-04-2

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