(5-Methoxypyridin-2-yl)methanol
Properties
- Molecular formula
- C7H9NO2
- Molar mass
- 139.15 g/mol
- Exact mass
- 139.0633 Da
- logP
- 0.58Crippen estimate
- Polar surface area
- 42.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
127978-70-5SMILES
COC1=CN=C(C=C1)COInChIKey
YSGIZFIQWAPBLG-UHFFFAOYSA-NInChI
InChI=1S/C7H9NO2/c1-10-7-3-2-6(5-9)8-4-7/h2-4,9H,5H2,1H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.07 (d, J = 1.8 Hz, 1H), 7.13 (m, J = 7.7 Hz, 1H), 7.13 (m, J = 7.7, 1.8 Hz, 1H), 4.86 (s, 2H), 3.80 (s, 3H), 2.00 (br s, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 154.6, 154.3, 135.6, 123.3, 121.7, 68.4, 56.0.[M + H]+
[M + H]+ Calcd for C7H10NO2 140.0706[M + Na]+
[M + Na]+ Calcd for C7H9NNaO2 162.0525[M − H]−
[M − H]− Calcd for C7H8NO2 138.0561Elemental analysis
Anal. Calcd for C7H9NO2: C, 60.42; H, 6.52; N, 10.07.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (5-Methoxypyridin-2-yl)methanol
Similar compounds
2,5-Dimethoxy pyridine867267-24-157 % similar
Anisyl alcohol105-13-552 % similar
6-Hydroxymethyl-nicotinic acid methyl ester56026-36-949 % similar
(6-Methoxypyridin-3-yl)methanol58584-63-749 % similar
2-Amino-5-methoxypyridine10167-97-248 % similar
2-Bromo-5-methoxypyridine105170-27-248 % similar
2-Chloro-5-methoxypyridine139585-48-148 % similar
(5-Fluoropyridin-2-yl)methanol802325-29-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Methoxy-3-pyridinemethanol112197-16-7
2,6-Pyridinedimethanol1195-59-1
4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3
Ethyl 1-cyanocyclopropanecarboxylate1558-81-2
5-Amino-2-methoxyphenol1687-53-2
Ammonium benzoate1863-63-4
(1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2
2-Amino-4-methoxyphenol20734-76-3