5-Bromo-2-chloroisonicotinonitrile - CAS 1211515-17-1

Catalog:	BB005046
Product Name:	5-Bromo-2-chloroisonicotinonitrile
CAS:	1211515-17-1
Synonyms:	5-bromo-2-chloro-4-pyridinecarbonitrile; 5-bromo-2-chloropyridine-4-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chloropyridine-4-carbonitrile
Description:	5-Bromo-2-chloroisonicotinonitrile (CAS# 1211515-17-1) is a useful research chemical.
Molecular Weight:	217.45
Molecular Formula:	C6H2BrClN2
Canonical SMILES:	C1=C(C(=CN=C1Cl)Br)C#N
InChI:	InChI=1S/C6H2BrClN2/c7-5-3-10-6(8)1-4(5)2-9/h1,3H
InChI Key:	IQRASQKEIRAODK-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
EP-3718545-A1	Antitumor agent	20171129
US-2020405697-A1	Antitumor Agent	20171129
BR-102017016829-A2	OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GRELINE O-ACIL TRANSFERASE (GOAT) INHIBITORS	20170804
AU-2017307033-A1	Oxadiazolopyridine derivates for use as ghrelin O-acyl transferase (GOAT) inhibitors	20160805

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Related Functional Groups

Nitrogen Compounds

[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.90899
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.90899
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2