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Molecule
2,5-Dichloro-3-Iodopyridine
CAS: 942206-23-7 · C5H2Cl2IN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 942206-23-7
- Molecular Formula
- C5H2Cl2IN
- Molecular Mass
- 273.89 g/mol
Identifiers
CAS Registry Number
942206-23-7
SMILES
Clc1cnc(Cl)c(I)c1
InChI Key
VYVNSDZZIATDSY-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2IN/c6-3-1-4(8)5(7)9-2-3/h1-2H
Names and Synonyms
- 2,5-Dichloro-3-Iodopyridine Synonym
- Pyridine, 2,5-dichloro-3-iodo- Synonym
- 2,5-Dichloro-3-iodopyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.89 g/mol | CAS Common Chemistry |
| 273.88800000000003 g/mol | RDKit | |
| 273.888 g/mol | RDKit | |
| 273.882 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CN=C(Cl)C(I)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H2Cl2IN/c6-3-1-4(8)5(7)9-2-3/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=VYVNSDZZIATDSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5-Dichloro-3-iodopyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| 12.36 Ų | chempirical lib | |
| LogP | 2.9930000000000003 | RDKit |
| 2.993 | RDKit | |
| Molar Refractivity | 46.97400000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 272.860902424 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 273.89 g/mol. Edit any field — others recompute live.
