Methyl 5-cyanopyridine-2-carboxylate

HCID 45082467

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Basic information

CAS: 76196-66-2
Standard SMILES: COC(=O)c1ccc(C#N)cn1
InChIKey: WJZGQRSIPFDCJX-UHFFFAOYSA-N
Molecular formula: C8H6N2O2
Average molar mass: 162.15 g/mol
Monoisotopic mass: 162.04292743

Names & identifiers

Preferred name: Methyl 5-cyanopyridine-2-carboxylate
IUPAC: methyl 5-cyanopyridine-2-carboxylate
English name: 2-Pyridinecarboxylicacid,5-cyano-,methylester(9CI)
Molecular formula: C8H6N2O2
Molecular weight: 162.15

Names & synonyms

76196-66-2methyl 5-cyanopyridine-2-carboxylateDTXSID90665268RefChem:356065DTXCID30616017830-398-9Methyl 5-cyanopicolinateMFCD118483445-CYANO-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER2-Pyridinecarboxylicacid,5-cyano-,methylester(9CI)5-CYANO-2-PYRIDINECARBOXYLIC ACID METHYL ESTERMethyl 5-cyano-2-pyridinecarboxylate

Show more names

methyl 5-cyanopyridine-2-carboxylate - [M87384]2-Pyridinecarboxylicacid,5-cyano-,methylester(9CI) ISO 9001：2015 REACH

Methyl5-cyanopicolinate2-Pyridinecarboxylic acid, 5-cyano-, methyl esterSCHEMBL991150SCHEMBL30546439WJZGQRSIPFDCJX-UHFFFAOYSA-NBDA19666methyl-5-cyanopyridine-2-carboxylateAKOS013033902

Database identifiers

CAS: 76196-66-2
PubChem CID: 45082467
DTXSID: DTXSID90665268
EC Number: 830-398-9

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 63 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 218

Physicochemical properties

Boiling point: 323.6 · 323.6±27.0 °C(Predicted)
Density: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -1.75 · -1.75±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2933399090 · 2933399090

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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.