5-Methoxy-4-azaindole - CAS 17288-40-3

Catalog:	BB012863
Product Name:	5-Methoxy-4-azaindole
CAS:	17288-40-3
Synonyms:	5-methoxy-1H-pyrrolo[3,2-b]pyridine

Technical Data

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Computed Properties

IUPAC Name:	5-methoxy-1H-pyrrolo[3,2-b]pyridine
Description:	5-Methoxy-4-azaindole (CAS# 17288-40-3) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	COC1=NC2=C(C=C1)NC=C2
InChI:	InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3
InChI Key:	WTIFEVSWZUSXQL-UHFFFAOYSA-N
Boiling Point:	284.5 °C at 760 mmHg
Density:	1.244 g/cm³
MDL:	MFCD08688601
LogP:	1.57150

Publication Number	Title	Priority Date
WO-2021193756-A1	Novel benzimidazole derivative	20200325
WO-2021067791-A1	Oxalamide compounds and compositions for treating conditions associated with sting activity	20191003
WO-2020210649-A1	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
TW-202103708-A	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
EP-3481391-A1	Therapeutic inhibitory compounds	20160711

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Related Functional Groups

Azaindoles

[945840-68-6]
7-Chloro-4-methyl-6-azaindole
[1256806-34-4]
3-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
[1190309-76-2]
4-Fluoro-5-azaindole
[860362-26-1]
4-Methyl-1H-pyrrolo[3,2-c]pyridine
[1150617-52-9]
5-Bromo-4-methyl-7-azaindole
[1305325-23-8]
1-(benzenesulfonyl)-6-bromo-1H-pyrrolo[3,2-b]pyridine

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[2642-37-7]
Indoxyl sulfate potassium salt
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[32996-16-0]
Ethyl indole-5-carboxylate
[771-50-6]
Indole-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

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:	1.4