4-Azaindole - CAS 272-49-1

Catalog:	BB019508
Product Name:	4-Azaindole
CAS:	272-49-1
Synonyms:	1H-pyrrolo[3,2-b]pyridine; 1H-pyrrolo[3,2-b]pyridine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1H-pyrrolo[3,2-b]pyridine
Description:	4-Azaindole (CAS# 272-49-1) is a useful research chemical.
Molecular Weight:	118.14
Molecular Formula:	C7H6N2
Canonical SMILES:	C1=CC2=C(C=CN2)N=C1
InChI:	InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H
InChI Key:	XWIYUCRMWCHYJR-UHFFFAOYSA-N
Boiling Point:	273.8 °C
Density:	1.242 g/cm³
MDL:	MFCD00971977
LogP:	1.56290

Publication Number	Title	Priority Date
CN-113200983-A	Compound with pyrrolopyridine structure, preparation method and medical application	20210522
CN-113292561-A	Compound with dipyrrolopyridine structure, preparation method and medical application	20210522
CN-112794851-A	3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof	20210126
CN-113214247-A	Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy	20210114
CN-112300176-A	Method for synthesizing chiral five-membered thiaheterocyclic nucleoside analogue by asymmetric [3+2] cyclization reaction	20201127

PMID	Publication Date	Title	Journal
23200254	20130101	Inhibitors of HIV-1 attachment. Part 10. The discovery and structure-activity relationships of 4-azaindole cores	Bioorganic & medicinal chemistry letters
22925984	20121101	Spectroscopic study of the ground and excited state prototropic equilibria of 4-azaindole	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22643974	20121001	Some insights into the binding mechanism of Aurora B kinase gained by molecular dynamics simulation	Journal of molecular modeling
23125772	20121001	N-[(3RS,4SR)-1-Benzyl-4-methyl-piperi-din-3-yl]-1-(4-methylphenyl-sulfonyl)-5-nitro-1H-pyrrolo-[2,3-b]pyridin-4-amine	Acta crystallographica. Section E, Structure reports online
23125813	20121001	N-[(3RS,4RS)-1-Benzyl-4-methyl-piperidin-3-yl]-5-nitro-1-phenyl-sulfonyl-1H-pyrrolo-[2,3-b]pyridine-4-amine	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.053098200
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.053098200
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1