Methyl 5-cyanonicotinate
Basic information
- CAS
106726-82-3- Standard SMILES
COC(=O)c1cncc(C#N)c1- InChIKey
RLUVYUFWNPLVPL-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Names & identifiers
- Preferred name
- Methyl 5-cyanonicotinate
- IUPAC
- methyl 5-cyanopyridine-3-carboxylate
- English name
- 5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
Methyl 5-cyanonicotinate106726-82-3methyl 5-cyanopyridine-3-carboxylate5-Cyano-3-pyridinecarboxylic acid methyl esterMFCD073679023-Pyridinecarboxylic acid, 5-cyano-, methyl estermethyl-5-cyano-nicotinate5-carbomethoxy-3-cyanopyridineSCHEMBL1413482DTXSID50545259RLUVYUFWNPLVPL-UHFFFAOYSA-NAB9682
Show more names
5-Cyanonicotinic acid methyl esterMethyl 5-cyano-3-pyridinecarboxylateMethyl 5-cyano-pyridin-3-carboxylateMETHYL-5-CYANOPYRIDINE-3-CARBOXYLATE5-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER ISO 9001：2015 REACH
AKOS006286287AB31365DS-1765AC-23038SY029382EN300-2490264F209318
Database identifiers
- CAS
106726-82-3- PubChem CID
- 13623673
- DTXSID
DTXSID50545259- Nikkaji
- J2.434.166F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 269.2 · 269.2±25.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -0.25 · -0.25±0.20(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
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Related reactions
3 records
Compound notes
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