6-Methylpyridine-2-carboxylic acid
6-METHYLPICOLINIC ACID · 6-METHYLPYRIDINE-2-CARBOXYLIC ACID · 6-METHYL-2-PICOLINIC ACID · NSC 26023 · NSC 109143 · IFLAB-BB F1790-0068 · RARECHEM AL BO 1402 · -2-pyridinecarboxyL
Identifiers & Physical Properties
| CAS No. | 934-60-1 |
|---|---|
| Molecular formula | C7H7NO2 |
| Average molar mass | 137.14 g/mol |
| Monoisotopic mass | 137.04767846 g/mol |
| SMILES | Cc1cccc(C(=O)O)n1 |
| InChIKey | LTUUGSGSUZRPRV-UHFFFAOYSA-N |
| PubChem CID | 70282 |
| ChEMBL | CHEMBL1650458 |
| EC No. | 213-287-4 |
| DTXSID | DTXSID20239416 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 50.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 136 |
| LogP (partition coefficient) | -1.22 |
| Melting point | 130 °C |
| Boiling point | 100°C/4.5mm |
| Density | 1.230±0.06 g/cm3(Predicted) |
| Flash point | 100°C/4.5mm |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Soluble in water |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | pK1:5.83 (25°C) |
| Color | White to Almost white |
| InChI | InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10) |
| InChIKey | LTUUGSGSUZRPRV-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC(C)=CC=C1 |
| CAS DataBase Reference | 934-60-1(CAS DataBase Reference) |
| FDA UNII | KB675Y352L |
| NIST Chemistry Reference | 6-Methyl picolinic acid(934-60-1) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P280g-P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39-36 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29333990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29333990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39-36 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P280g-P261-P305+P351+P338 |
Applications & Uses
Uses
Pharmacological activity studied in regard to: Interactions of carrier ligands of antidiabetic metal complexes with human serum albuminAbility to chelate metalloenzyme inhibitorsInteractions of insulin-mimetic zinc(II) complexes with cell constituentsReactant for: Synthesis of inhibitors of human 11β -hydroxysteroid dehydrogenase type 1Lewis base organocatalysts for stereoselective hydrosilylation reactionsBiological studies of insulin-enhancing complexes
General Description
6-Methylpyridine-2-carboxylic acid (2-carboxy-6-methylpyridine, 6-methylpicolinic acid) is a heterocyclic building block.