4-Bromo-6-fluoropyiridine-3-carbonitrile - CAS 1805591-30-3

Catalog:	BB055390
Product Name:	4-Bromo-6-fluoropyiridine-3-carbonitrile
CAS:	1805591-30-3
Synonyms:	4-Bromo-6-fluoronicotinonitrile; 4-bromo-6-fluoropyridine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-6-fluoropyridine-3-carbonitrile
Molecular Weight:	201
Molecular Formula:	C6H2BrFN2
Canonical SMILES:	C1=C(C(=CN=C1F)C#N)Br
InChI:	InChI=1S/C6H2BrFN2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H
InChI Key:	OQWIYQNQXBDNBU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
FR-2955323-A1	NOVEL INDAZOLE DERIVATIVES INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME AND USE THEREOF	20100119
WO-2011004132-A1	Novel hsp90-inhibiting indole derivatives, compositions containing said derivatives, and use thereof	20090710
AU-2010224652-A1	Hsp90 inhibiting indazole derivatives, compositions containing same and use thereof	20090319
CA-2755660-A1	Hsp90 inhibiting indazole derivatives, compositions containing same and use thereof	20090319
EP-2408762-A1	Hsp90 inhibiting indazole derivatives, compositions containing same and use thereof	20090319
FR-2943341-A1	NOVEL INDAZOLE DERIVATIVES INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME AND USE THEREOF	20090319
JP-2012520859-A	SHP90 inhibitory indazole derivatives, compositions containing them, and uses thereof	20090319
KR-20110128942-A	HSP0 inhibitory indazole derivatives, compositions containing them and uses thereof	20090319
TW-201038553-A	Novel indazole derivatives which inhibit HSP90, compositions containing them and use thereof	20090319
US-2012010241-A1	Hsp90 inhibiting indazole derivatives, compositions containing same and use thereof	20090319

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
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:	199.93854
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.93854
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7