2-Methoxyisonicotinonitrile

HCID 7204887

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Basic information

CAS: 72716-86-0
Standard SMILES: COc1cc(C#N)ccn1
InChIKey: NZAZWLSRKMDRNS-UHFFFAOYSA-N
Molecular formula: C7H6N2O
Average molar mass: 134.14 g/mol
Monoisotopic mass: 134.04801281

Names & identifiers

Preferred name: 2-Methoxyisonicotinonitrile
IUPAC: 2-methoxypyridine-4-carbonitrile
English name: 4-Cyano-2-methoxypyridine
Molecular formula: C7H6N2O
Molecular weight: 134.14

Names & synonyms

2-methoxyisonicotinonitrile72716-86-0DTXSID20428404RefChem:262788DTXCID50379238689-875-34-CYANO-2-METHOXYPYRIDINE2-methoxypyridine-4-carbonitrileMFCD066598934-Pyridinecarbonitrile, 2-methoxy-2-methoxy-4-cyanopyridine2-methoxy-isonicotinonitrile

Show more names

4-Cyano-2-methoxypyridine 98%2-Methoxyisonicotinonitrile 98%2-Methoxy-4-Pyridinecarbonitrile2-cyano-2-Methoxy-1,2-dihydropyridine-4-carboxylic acid

SCHEMBL447719SCHEMBL1820437SCHEMBL9480201SCHEMBL29867993NZAZWLSRKMDRNS-UHFFFAOYSA-NSBB0555332-(Methyloxy)-4-pyridinecarbonitrileAKOS000198191

Database identifiers

CAS: 72716-86-0
PubChem CID: 7204887
DTXSID: DTXSID20428404
EC Number: 689-875-3

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 45.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 88 · 88-92
Boiling point: 207.1 · 207.1±25.0 °C(Predicted)
Density: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: solid
pka: 0.04 · 0.04±0.10(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933399990 · 2933399990

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.