3-bromo-[1,2,4]triazolo[4,3-a]pyridine - CAS 4922-68-3

Name: 3-bromo-[1,2,4]triazolo[4,3-a]pyridine
Brand: BOC Sciences
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Catalog:	BB026662
Product Name:	3-bromo-[1,2,4]triazolo[4,3-a]pyridine
CAS:	4922-68-3
Synonyms:	3-bromo-[1,2,4]triazolo[4,3-a]pyridine; 3-bromo-[1,2,4]triazolo[4,3-a]pyridine

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Computed Properties

IUPAC Name:	3-bromo-[1,2,4]triazolo[4,3-a]pyridine
Description:	3-bromo-[1,2,4]triazolo[4,3-a]pyridine (CAS# 4922-68-3) is an intermediate used to prepare bi-aryl amines as mGluR5 modulators for treating gastrointestinal, urinary tract, and nervous system disorders.
Molecular Weight:	198.023
Molecular Formula:	C6H4BrN3
Canonical SMILES:	C1=CC2=NN=C(N2C=C1)Br
InChI:	InChI=1S/C6H4BrN3/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H
InChI Key:	BOKHADJFZUWNSH-UHFFFAOYSA-N
MDL:	MFCD11111699
LogP:	1.49180

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Related Functional Groups

Triazolo[n,m-a]Pyridine&Pyrimidine

[1003015-89-1]C13H8N6O
4-(3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yloxy)quinazoline
[192642-82-3]C6H4BrN3
6-Bromo-[1,2,3]triazolo[1,5-a]pyridine
[1016835-11-2]C11H16N4
5-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}pentan-1-amine
[1245807-23-1]C16H15N5O3
3-{7-[4-(Acetylamino)Phenyl][1,2,4]Triazolo[1,5-A]Pyrimidin-2-Yl}Propanoic Acid
[1018144-12-1]C7H6N4O2
6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
[2155875-80-0]C7H6ClN3
6-Chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021078998-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087189-A1	SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087190-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2