Basic information
- CAS
66572-55-2- Standard SMILES
COc1ccc(C(=O)O)cn1- InChIKey
NVDJVEQITUWZDT-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259308
Overview
6-Methoxy-pyridine-3-carboxylic acid is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 6-Methoxynicotinic acid
- IUPAC
- 6-methoxypyridine-3-carboxylic acid
- English name
- 6-Methoxynicotinic acid
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
6-Methoxynicotinic acid66572-55-2DTXSID20343825RefChem:104956DTXCID00294902647-984-3NVDJVEQITUWZDT-UHFFFAOYSA-N2-METHOXY-5-PYRIDINECARBOXYLIC ACID6-methoxypyridine-3-carboxylic acid2-Methoxypyridine-5-carboxylic acidMFCD041157213-PYRIDINECARBOXYLIC ACID, 6-METHOXY-
Show more names
RARECHEM AL BO 07336-MethoxynicotinicAci2-Methoxy-5-pyridinecarboxyL6-methoxy-3-pyridinecarboxylate6-Methoxy-pyridin-3-carboxylic acid
6-methoxy-nicotinic acid6-Methoxy-pyridine-3-carboxylic acidCHEMBL56130046-METHOXY-3-PYRIDINECARBOXYLIC ACID6-methyloxynicotinic acidSCHEMBL185291SCHEMBL29757598CHEBI:89900
Database identifiers
- CAS
66572-55-2- PubChem CID
- 592499
- DTXSID
DTXSID20343825- ChEMBL
CHEMBL5613004
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 171.5 · 171.5-172.5 °C(Solv: water (7732-18-5))
- Boiling point
- 283.8 · 283.8±20.0 °C(Predicted)
- Density
- 1.284 · 1.284
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 3.74 · 3.74±0.10(Predicted)
- color
- Light yellow
- CAS DataBase Reference
- 66572 · 66572-55-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methoxy-5-pyridinecarboxylic Acid is used in the synthesis of caudatin derivatives as anti-hepatitis B virus agents. In addition it can be used the synthesize potent, selective GSK-3 inhibitors for the use in the treatment of various ailments.
Upstream & downstream products
Upstream raw materials
Related reactions
26 records
Compound notes
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