3-Iodo-5-azaindole - CAS 877060-47-4

Catalog:	BB038604
Product Name:	3-Iodo-5-azaindole
CAS:	877060-47-4
Synonyms:	3-iodo-1H-pyrrolo[3,2-c]pyridine; 3-iodo-1H-pyrrolo[3,2-c]pyridine

Technical Data

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Computed Properties

IUPAC Name:	3-iodo-1H-pyrrolo[3,2-c]pyridine
Description:	3-Iodo-5-azaindole (CAS# 877060-47-4) is a useful research chemical.
Molecular Weight:	244.03
Molecular Formula:	C7H5IN2
Canonical SMILES:	C1=CN=CC2=C1NC=C2I
InChI:	InChI=1S/C7H5IN2/c8-6-4-10-7-1-2-9-3-5(6)7/h1-4,10H
InChI Key:	AGKRAGHEIVZOID-UHFFFAOYSA-N
Boiling Point:	380.547 °C at 760 mmHg
Density:	2.083 g/cm³
LogP:	2.16750

Publication Number	Title	Priority Date
WO-2020198583-A1	Bicyclic jak inhibitors and uses thereof	20190327
AU-2017326006-A1	Inhibitors of the menin-MLL interaction	20160916
CA-3036987-A1	Inhibitors of the menin-mll interaction	20160916
EP-3512850-A1	Inhibitors of the menin-mll interaction	20160916
JP-2019529421-A	Inhibitor of menin-MLL interaction	20160916

PMID	Publication Date	Title	Journal
22465052	20120801	A novel obatoclax derivative, SC-2001, induces apoptosis in hepatocellular carcinoma cells through SHP-1-dependent STAT3 inactivation	Cancer letters

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Related Functional Groups

Azaindoles

[122379-63-9]
4-Methoxy-7-azaindole
[1190318-85-4]
3-Iodo-7-methoxy-4-azaindole
[1082040-95-6]
4-Chloro-7-methyl-5-azaindole
[23688-47-3]
3-Bromo-4-azaindole
[55052-24-9]
1H-Pyrrolo[2,3-b]pyridine 7-Oxide
[346599-62-0]
4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one

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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

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.94975
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.94975
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6