5-Methoxy-6-azaindole - CAS 17288-53-8

Catalog:	BB012866
Product Name:	5-Methoxy-6-azaindole
CAS:	17288-53-8
Synonyms:	5-methoxy-1H-pyrrolo[2,3-c]pyridine

Technical Data

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Computed Properties

IUPAC Name:	5-methoxy-1H-pyrrolo[2,3-c]pyridine
Description:	5-Methoxy-6-azaindole (CAS# 17288-53-8) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	COC1=NC=C2C(=C1)C=CN2
InChI:	InChI=1S/C8H8N2O/c1-11-8-4-6-2-3-9-7(6)5-10-8/h2-5,9H,1H3
InChI Key:	CCNJNELOBGXDFD-UHFFFAOYSA-N
Boiling Point:	304.1 °C at 760 mmHg
Purity:	97.0 %
Density:	1.244 g/cm³
MDL:	MFCD09038907
LogP:	1.57150

Publication Number	Title	Priority Date
WO-2021067791-A1	Oxalamide compounds and compositions for treating conditions associated with sting activity	20191003
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
EP-3481391-A1	Therapeutic inhibitory compounds	20160711
US-10301284-B2	Therapeutic inhibitory compounds	20160711
US-2018297984-A1	Therapeutic inhibitory compounds	20160711

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3