6-(Ethoxycarbonyl)picolinic acid
Basic information
- CAS
21855-16-3- Standard SMILES
CCOC(=O)c1cccc(C(=O)O)n1- InChIKey
MFCXAUVIKVGIFK-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 6-(Ethoxycarbonyl)picolinic acid
- IUPAC
- 6-ethoxycarbonylpyridine-2-carboxylic acid
- English name
- Ethyl2,6-PyridinedicarboxylateMono
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
6-(Ethoxycarbonyl)picolinic acid21855-16-36-(ethoxycarbonyl)pyridine-2-carboxylic acid6-ethoxycarbonylpyridine-2-carboxylic AcidMFCD00806154Ethyl2,6-PyridinedicarboxylateMonoMethyl dipicolinate6-ethoxycarbonyl-2-pyridinecarboxylic acid2,6-pyridine dicarboxylic acid monoethyl ester2,6-Pyridinedicarboxylic acid, monoethyl esterOprea1_848293SCHEMBL2832191
Show more names
6-(Ethoxycarbonyl)6- (ethoxycarbonyl) pyridine formate2,6-pyridinedicarboxylatemonoethylester2,6-Pyridinedicarboxylic acid, 2-ethyl ester2,6-pyridinediCarbocylic acid monoethyl ester
DTXSID90393978MFCXAUVIKVGIFK-UHFFFAOYSA-NALBB-019684CCG-15077AKOS000266690CS-W022432NCGC00336971-012,6-pyridinedicarboxylate monoethyl ester
Database identifiers
- CAS
21855-16-3- PubChem CID
- 3594444
- DTXSID
DTXSID90393978- EC Number
- 606-846-2
- Nikkaji
- J2.373.307B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 116 · 116-117℃
- Boiling point
- 396.2 · 396.2±27.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.27 · 3.27±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- 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.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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