Basic information
- CAS
6419-36-9- Standard SMILES
O=C([O-])Cc1cccnc1- InChIKey
WGNUNYPERJMVRM-UHFFFAOYSA-M- Molecular formula
- C7H6NO2-
- Average molar mass
- 136.13 g/mol
- Monoisotopic mass
- 136.03985343
Overview
See also: 3-Pyridineacetic acid (annotation moved to).
Names & identifiers
- Preferred name
- 3-Pyridylacetate
- IUPAC
- 2-pyridin-3-ylacetate
- English name
- 3-Pyridylacetic acid hydrochloride
- Molecular formula
- C7H8ClNO2
- Molecular weight
- 173.6
Names & synonyms
3-pyridylacetate3-pyridinylacetate(Pyridin-3-yl)acetateDTXSID30982729WGNUNYPERJMVRM-UHFFFAOYSA-MAKOS0267500923-PYRIDYLACETIC ACID HCL3-PYRIDINEACETIC ACID HYDROCHLORIDE2-(pyridin-3-yl)acetic acid hydrochlorideLioxone HydroTIMTEC-BB SBB003812Nicotine Impurity 3
Show more names
3-pyridylessigsaeureColetin HydrochlorideRisedronate Impurity DLessterol Hydrochloride
Database identifiers
- CAS
6419-36-9- PubChem CID
- 4615299
- DTXSID
DTXSID30982729
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- -1
- Complexity
- 119
Physicochemical properties
- Melting point
- 161 · 161-163 °C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Crystalline Powder, Crystals and/or Chunks
- color
- White to light yellow or beige
- Merck
- 14 · 14,7971
- BRN
- 3696630 · 3696630
- Stability
- Hygroscopic
- InChI
- InChI=1S/C7H7NO2.ClH/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);1H
- InChIKey
- XVCCOEWNFXXUEV-UHFFFAOYSA-N
- SMILES
- C(C1=CN=CC=C1)C(=O)O.Cl
- CAS DataBase Reference
- 6419 · 6419-36-9(CAS DataBase Reference)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description3-Pyridineacetic acid hydrochloride is a higher homologue of nicotinic acid, a breakdown product of nicotine (and other tobacco alkaloids).
Uses3-Pyridylacetic Acid is a metabolite of Nicotine (N412420). 3-Pyridylacetic Acid is an antilipemic.
UsesThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.
General DescriptionRisedronate Impurity D is an impurity of risedronate, which is a new generation pyridinyl bisphosphonate, effectively used in the treatment of Paget′s disease of bone. It is also used for the treatment of skeletal disorders since it inhibits osteoclast-mediated bone resorption and modulates bone metabolism.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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