chempirical

α-Methyl-3-pyridinemethanol

C7H9NOCAS 4754-27-2123.15 g/mol

Open in Covalent MOL file
HON
Alcohol

Properties

Molecular formula
C7H9NO
Molar mass
123.15 g/mol
Exact mass
123.0684 Da
Boiling point
123–125 °C (at 5 Torr)
logP
1.13Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
4754-27-2
SMILES
CC(O)c1cccnc1
InChIKey
QMDUEBURHKSKDG-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3

Weigh it out

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

Names and synonyms

8 names
  • 3-Pyridinemethanol, α-methyl-
  • Methyl-3-pyridylcarbinol
  • 1-(3-Pyridyl)ethanol
  • (±)-1-(3-Pyridyl)ethanol
  • 1-(3-Pyridinyl)ethanol
  • 3-(1-Hydroxyethyl)pyridine
  • NSC 526489
  • 1-(Pyridin-3-yl)ethan-1-ol

Work with α-Methyl-3-pyridinemethanol

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-Phenylethanol13323-81-456 % similar (S)-1-Phenylethanol1445-91-656 % similar (+)-1-Phenylethanol1517-69-756 % similar 1-Phenylethanol98-85-156 % similar α-Methyl-3-pyridinemethanamine56129-55-655 % similar (1R)-1-(3-Chlorophenyl)ethanol120121-01-945 % similar 3-Fluoro-α-methylbenzenemethanol402-63-145 % similar 3-Chloro-α-methylbenzenemethanol6939-95-345 % similar

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

Same formula

2-Methoxy-4-methylpyridine100848-70-2 (5-Methylpyridin-3-yl)methanol102074-19-1 2-Pyridineethanol103-74-2 P-Anisidine104-94-9 2,6-Dimethylpyridine N-oxide1073-23-0 2,6-Dimethyl-3-pyridinol1122-43-6 6-Methyl-2-pyridinemethanol1122-71-0 2-Methoxy-5-picoline13472-56-5

Elsewhere

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