5-Bromo-1,6-dihydro-6-oxo-3-pyridinecarbonitrile - CAS 19840-44-9

Catalog:	BB076904
Product Name:	5-Bromo-1,6-dihydro-6-oxo-3-pyridinecarbonitrile
CAS:	19840-44-9
Synonyms:	3-Pyridinecarbonitrile, 5-bromo-1,6-dihydro-6-oxo-; Nicotinonitrile, 5-bromo-6-hydroxy-; 5-Bromo-6-hydroxynicotinonitrile

Technical Data

Computed Properties

IUPAC Name:	5-bromo-6-oxo-1H-pyridine-3-carbonitrile
Molecular Weight:	199.01
Molecular Formula:	C6H3N2OBr
Canonical SMILES:	C1=C(C(=O)NC=C1C#N)Br
InChI:	InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChI Key:	NCIBXYJEJGGUFF-UHFFFAOYSA-N
Boiling Point:	307.9±42.0°C at 760 mmHg
Purity:	98%
Density:	1.84±0.1 g/cm3
Storage:	Store at 2-8°C under inert gas (nitrogen or argon)

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Pyridines

[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.94288
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.94288
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5