Back to Search
Molecule
2-Methyl-8-Nitroquinoline
CAS: 881-07-2 · C10H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 881-07-2
- Molecular Formula
- C10H8N2O2
- Molecular Mass
- 188.19 g/mol
Identifiers
CAS Registry Number
881-07-2
SMILES
Cc1ccc2cccc([N+](=O)[O-])c2n1
InChI Key
UHPGVDHXHDPYQP-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3
Names and Synonyms
- 2-Methyl-8-Nitroquinoline Systematic Name
- Quinoline, 2-methyl-8-nitro- Synonym
- Quinaldine, 8-nitro- Synonym
- 2-Methyl-8-nitroquinoline Synonym
- 8-Nitroquinaldine Synonym
- NSC 163380 Synonym
- 8-Nitro-2-methylquinoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.19 g/mol | CAS Common Chemistry |
| 188.18599999999998 g/mol | RDKit | |
| 188.186 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=CC2=CC=C(N=C21)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UHPGVDHXHDPYQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 139-141 °C | CAS Common Chemistry |
| Name | 2-Methyl-8-nitroquinoline | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 56.03 Ų | RDKit |
| 50.66 Ų | chempirical lib | |
| LogP | 2.4514200000000006 | RDKit |
| 2.4514 | RDKit | |
| Molar Refractivity | 53.134400000000014 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 188.058577496 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
80
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
Convert
Quick conversion
MW = 188.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8N2O2.
