2-(2-Ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
Basic information
- CAS
35969-51-8- Standard SMILES
CCOC(=O)Cc1ncccc1C(=O)O- InChIKey
HWWYQJVDTXVUMB-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 2-(2-Ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
- IUPAC
- 2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
- English name
- 2-(2-Ethoxy-2-oxoethyl)nicotinic acid
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
2-(2-ethoxy-2-oxoethyl)pyridine-3-carboxylic acidRefChem:453764817-746-52-(2-ethoxy-2-oxoethyl)nicotinic acid35969-51-8MFCD006638172-[(ethoxycarbonyl)methyl]pyridine-3-carboxylic acid3-carboxy-2-pyridineacetic acid ethyl ester2-Pyridineacetic acid,3-carboxy-, 2-ethyl esterOprea1_742902SCHEMBL2589045SCHEMBL30177224
Show more names
2-Ethyl 3-carboxy-2-pyridineacetate2-(2-ethoxy-2-oxoethyl)-3-pyridinecarboxylate2-Pyridineacetic acid, 3-carboxy-, 2-ethyl ester
DTXSID60377124HWWYQJVDTXVUMB-UHFFFAOYSA-NKBA96951SBB052989AKOS001320992SB551582-(2-ethoxy-2-oxoethyl) nicotinic acidSY013319
Database identifiers
- CAS
35969-51-8- PubChem CID
- 2763733
- DTXSID
DTXSID60377124- EC Number
- 817-746-5
- Nikkaji
- J1.649.215I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 134 · 134-136°C
- Boiling point
- 345.3 · 345.3±27.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 1.9 · 1.90±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
1 records
Compound notes
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