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Molecule
2-(Methylamino)-3-Pyridinemethanol
CAS: 32399-12-5 · C7H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32399-12-5
- Molecular Formula
- C7H10N2O
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
32399-12-5
SMILES
CNc1ncccc1CO
InChI Key
VYPMWCUNCNMNOM-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,10H,5H2,1H3,(H,8,9)
Names and Synonyms
- 2-(Methylamino)-3-Pyridinemethanol Systematic Name
- 3-Pyridinemethanol, 2-(methylamino)- Synonym
- 2-(Methylamino)-3-pyridinemethanol Synonym
- 2-(N-Methylamino)-3-hydroxymethylpyridine Synonym
- [2-(Methylamino)-3-pyridyl]methanol Synonym
- [2-(Methylamino)pyridin-3-yl]methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| Canonical SMILES | OCC1=CC=CN=C1NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,10H,5H2,1H3,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=VYPMWCUNCNMNOM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Methylamino)-3-pyridinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.150000000000006 Ų | RDKit |
| 45.15 Ų | RDKit | |
| 44.62 Ų | chempirical lib | |
| LogP | 0.6155999999999999 | RDKit |
| 0.6156 | RDKit | |
| Molar Refractivity | 39.70650000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 138.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 138.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2O.
