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3-Cyano-6-(trifluoromethyl)pyrid-2-one

3-Cyano-6-(trifluoromethyl)pyrid-2-one structure

CAS No:
116548-04-0
Formula:
C7H3F3N2O
Chemical Name:
3-Cyano-6-(trifluoromethyl)pyrid-2-one
Synonyms:
1,2-Dihydro-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile;3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-(trifluoroMethyl)-;3-Cyano-1,2-dihydro-2-oxo-6-(trifluoromethyl)pyridine;2-hydroxy-6-(trifluoroMethyl)pyridine-3-carbonitrile;2-Oxo-6-trifluoroMethyl-1,2-dihydro-pyridine-3-carbonitrile;2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile;1,2-dihydro-2-oxo-6-(trifluoromethyl)-3-Pyridinecarbonitrile;3-Cyano-6-(trifluoromethyl)pyrid-2-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Cyano-6-(trifluoromethyl)pyrid-2-one Basic Attributes

Molecular Weight：

188.11

Exact Mass：

188.01974721

DSSTox ID：

DTXSID90554901

HScode：

2933399090

Characteristics

PSA：

56.65000

XLogP3：

1.26538

Density：

1.48±0.1 g/cm3

Melting Point：

210-211

Boiling Point：

265.0±40.0 °C(Predicted)

Refractive Index：

1.493

Vapor Pressure：

4.7E-05mmHg at 25°C

PKA：

4.94±0.10

Safety Information

Marks：

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:188.11
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:188.01974721
Monoisotopic Mass:188.01974721
Topological Polar Surface Area:52.9
Heavy Atom Count:13
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Cyano-6-(trifluoromethyl)pyrid-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties
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