Methyl 2-cyanonicotinate
Basic information
- CAS
75358-89-3- Standard SMILES
COC(=O)c1cccnc1C#N- InChIKey
ANPYBZGPGODWJD-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Names & identifiers
- Preferred name
- Methyl 2-cyanonicotinate
- IUPAC
- methyl 2-cyanopyridine-3-carboxylate
- English name
- 2-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
methyl 2-cyanonicotinate75358-89-3methyl 2-cyanopyridine-3-carboxylate2-Cyano-3-pyridinecarboxylic acid methyl esterMFCD001288633-Pyridinecarboxylic acid, 2-cyano-, methyl esterNSC364064methyl2-cyanonicotinateSCHEMBL3465036DTXSID30320768ANPYBZGPGODWJD-UHFFFAOYSA-NAKOS005107603
Show more names
2-Cyanopyridine-3-carboxylic acid methyl ester2-CYANO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER ISO 9001：2015 REACH
MS-1559NSC-364064NCGC00663791-01AC-14259SY008638DB-074973CS-0043877EN300-212372
Database identifiers
- CAS
75358-89-3- PubChem CID
- 339115
- DTXSID
DTXSID30320768- Nikkaji
- J2.806.901D
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H6N2O2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,1H3
- InChIKey
- ANPYBZGPGODWJD-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC=CC=C1C(OC)=O
- 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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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