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3-Bromo-4-pyridinecarboxamide

3-Bromo-4-pyridinecarboxamide structure

CAS No:
13958-99-1
Formula:
C6H5BrN2O
Chemical Name:
3-Bromo-4-pyridinecarboxamide
Synonyms:
4-Pyridinecarboxamide,3-bromo-;Isonicotinamide,3-bromo-;3-Bromo-4-pyridinecarboxamide;3-Bromopyridine-4-carboxamide;3-Bromoisonicotinamide
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Bromo-4-pyridinecarboxamide Basic Attributes

Molecular Weight：

201.0207

Exact Mass：

201.02

DSSTox ID：

DTXSID60450446

HScode：

2933399090

Characteristics

PSA：

XLogP3：

0.4

Density：

1.710±0.06 g/cm3 (20 ºC 760 Torr)

Boiling Point：

316.2°C at 760 mmHg

Flash Point：

145.1±23.7 °C

Refractive Index：

1.614

Vapor Pressure：

0mmHg at 25°C

3-Bromo-4-pyridinecarboxamide Use and Manufacturing

EtOStep 1 [0182] To a suspension of 3-bromoisonicotinic acid (1) (4.0 g) in tetrahydrofuran (40 ml) were added oxalyl dichloride (1.82 ml) and dimethylformamide (one drop) at 0° C. and the mixture was stirred for 1 hour. To the reaction solution was added 28percent aqueous ammonia (40 ml) and stirred for 40 minutes. After addition of ethyl acetate to the mixture, the organic layer was washed with brine and dried over magnesium sulfate. The solvent was evaporated under reduced pressure to afford Compound (2) (3.38 g). [0183]

Computed Properties

Molecular Weight:201.02
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:199.95853
Monoisotopic Mass:199.95853
Topological Polar Surface Area:56
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 13958-99-1

Grade: Industrial Grade

Content: 99%

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Guide of 3-Bromo-4-pyridinecarboxamide

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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3-Bromo-4-pyridinecarboxamide

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