HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 15421663Generated: October 25, 2026
Methyl 5-chloropyridine-3-carboxylate
Methyl 5-chloronicotinate · 5-Chlor-nicotinsaeure-Methylester · Methyl 5-chloropyridine-3-carboxylate · Methyl 3-chloropyridine-5-carboxylate · 5-chloro-3-Pyridinecarboxylic acid methyl ester · 5-Chloropyridine-3-carboxylic acid methyl ester · (2S)-2-amino-3-(4-prop-5-enoxyphenyl)propanoicacid · 3-Pyridinecarboxylic acid, 5-chloro-, methyl ester
https://huagongshe.com/en/chemical/15421663
Identifiers & Physical Properties
| CAS No. | 51269-81-9 |
|---|
| Molecular formula | C7H6ClNO2 |
|---|
| Average molar mass | 171.58 g/mol |
|---|
| Monoisotopic mass | 171.00870611 g/mol |
|---|
| SMILES | COC(=O)c1cncc(Cl)c1 |
|---|
| InChIKey | TVUWLLCWQGXPSH-UHFFFAOYSA-N |
|---|
| PubChem CID | 15421663 |
|---|
| DTXSID | DTXSID10572627 |
|---|
Chemical & Physical Properties
| XLogP | 1.3 |
|---|
| Topological polar surface area | 39.2 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 11 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 151 |
|---|
| Melting point | 88-90 °C |
|---|
| Boiling point | 230.4±20.0 °C(Predicted) |
|---|
| Density | 1.294±0.06 g/cm3(Predicted) |
|---|
| Storage conditions | 2-8°C |
|---|
| Physical state | solid |
|---|
| pKa (acidity coefficient) | 0.91±0.20(Predicted) |
|---|
| Color | White |
|---|
| InChI | InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3 |
|---|
| InChIKey | TVUWLLCWQGXPSH-UHFFFAOYSA-N |
|---|
| SMILES | C1=NC=C(Cl)C=C1C(OC)=O |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P305+P351+P338 |
|---|
| Customs code | 2933399990 |
|---|
Safety & Regulations
| Customs code | 2933399990 |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P305+P351+P338 |
|---|