6-Methylpyridine-2-carboxylic acid
Basic information
- CAS
934-60-1- Standard SMILES
Cc1cccc(C(=O)O)n1- InChIKey
LTUUGSGSUZRPRV-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767846
Names & identifiers
- Preferred name
- 6-Methylpyridine-2-carboxylic acid
- IUPAC
- 6-methylpyridine-2-carboxylic acid
- English name
- 6-Methyl-2-pyridinecarboxylic acid
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
6-Methylpicolinic acid6-Methylpyridine-2-carboxylic acid6-methyl picolinic acidKB675Y352LEINECS 213-287-4UNII-KB675Y352LNSC 26023NSC-26023LTUUGSGSUZRPRV-UHFFFAOYSA-DTXSID20239416RefChem:105057DTXCID40161907
Show more names
6-METHYL-2-PICOLINIC ACIDNSC 109143IFLAB-BB F1790-0068RARECHEM AL BO 1402-2-pyridinecarboxyL6-Methylpicolinic acid,97%
213-287-4InChI=1/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)LTUUGSGSUZRPRV-UHFFFAOYSA-N934-60-16-Methyl-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-methyl-2-Picoline-6-carboxylic acidPicolinic acid, 6-methyl-
Database identifiers
- CAS
934-60-1- PubChem CID
- 70282
- DTXSID
DTXSID20239416- ChEMBL
CHEMBL1650458- UNII
- KB675Y352L
- EC Number
- 213-287-4
- Nikkaji
- J101.238J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
LogP-1.22
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 100 °C/4.5mm · 100°C/4.5mm
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- Flash point
- 100 °C/4.5mm · 100°C/4.5mm
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Water Solubility
- Soluble in water
- form
- powder to crystal
- pka
- 1 · 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 · 934-60-1(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (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 information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280g-P261-P305+P351+P338
Chemistry & industry
Applications
UsesPharmacological 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 Description6-Methylpyridine-2-carboxylic acid (2-carboxy-6-methylpyridine, 6-methylpicolinic acid) is a heterocyclic building block.
Upstream & downstream products
Upstream raw materials
Related reactions
66 records
Compound notes
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