7-Bromo-1H-pyrazolo[4,3-c]pyridine - CAS 1256821-58-5

Name: 7-Bromo-1H-pyrazolo[4,3-c]pyridine
Brand: BOC Sciences
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Catalog:	BB006221
Product Name:	7-Bromo-1H-pyrazolo[4,3-c]pyridine
CAS:	1256821-58-5
Synonyms:	7-bromo-1H-pyrazolo[4,3-c]pyridine

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Computed Properties

IUPAC Name:	7-bromo-1H-pyrazolo[4,3-c]pyridine
Description:	7-Bromo-1H-pyrazolo[4,3-c]pyridine (CAS# 1256821-58-5) is a useful research chemical.
Molecular Weight:	198.02
Molecular Formula:	C6H4BrN3
Canonical SMILES:	C1=C2C=NNC2=C(C=N1)Br
InChI:	InChI=1S/C6H4BrN3/c7-5-3-8-1-4-2-9-10-6(4)5/h1-3H,(H,9,10)
InChI Key:	AIFRKKWUAVZXQP-UHFFFAOYSA-N
Purity:	97.0 %
Storage:	Sealed in dry, Room Temperature
LogP:	1.72040

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2018092047-A1	Inhibitors of bruton's tyrosine kinase	20161118
EP-3538091-A1	PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF	20161108
US-10414727-B2	Phenyl amino piperidine mTORC inhibitors and uses thereof	20161108
US-2018127370-A1	PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF	20161108
US-2020207716-A1	PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF	20161108

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.95886
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2