2-Methyl 2,3-pyridinedicarboxylate
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Basic information
- CAS
24195-07-1- Standard SMILES
COC(=O)c1ncccc1C(=O)O- InChIKey
OSSIORZYXTUXBL-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Names & identifiers
- Preferred name
- 2-Methyl 2,3-pyridinedicarboxylate
- IUPAC
- 2-methoxycarbonylpyridine-3-carboxylic acid
- English name
- quinolinic acid, 2-methyl ester
- Molecular formula
- C8H7NO4
- Molecular weight
- 181.15
Names & synonyms
24195-07-1Quinolinic acid, 2-methyl ester2-Methyl quinolinateQA2MEDTXSID00178894RefChem:461181DTXCID601013852-Methyl 2,3-pyridinedicarboxylate2-(methoxycarbonyl)nicotinic acid2-(methoxycarbonyl)pyridine-3-carboxylic acid2-methoxycarbonylpyridine-3-carboxylic acidMFCD00111560
Show more names
2-carbomethoxynicotinic acid2-methoxycarbonyl-3-pyridinecarboxylic acid
2,3-Pyridinedicarboxylic acid, 2-methyl esterPyridine-2,3-dicarboxylic acid 2-methyl esterNSC 154834Oprea1_568492SCHEMBL5190942-methoxycarbonylnicotinic acidmethyl carboxypyridinecarboxylateSCHEMBL29559479
Database identifiers
- CAS
24195-07-1- PubChem CID
- 98626
- DTXSID
DTXSID00178894- EC Number
- 893-687-9
- Nikkaji
- J1.879.947B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 54 · 54-55 °C
- Boiling point
- 380.7 · 380.7±27.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.59 · 2.59±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H7NO4/c1-13-8(12)6-5(7(10)11)3-2-4-9-6/h2-4H,1H3,(H,10,11)
- InChIKey
- OSSIORZYXTUXBL-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=NC=CC=C1C(O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
5 records
Compound notes
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