Methyl 7-Azaindole-2-carboxylate - CAS 394223-02-0

Catalog:	BB023971
Product Name:	Methyl 7-Azaindole-2-carboxylate
CAS:	394223-02-0
Synonyms:	1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester; methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Description:	Methyl 7-Azaindole-2-carboxylate (CAS# 394223-02-0) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	COC(=O)C1=CC2=C(N1)N=CC=C2
InChI:	InChI=1S/C9H8N2O2/c1-13-9(12)7-5-6-3-2-4-10-8(6)11-7/h2-5H,1H3,(H,10,11)
InChI Key:	HWOQCGSIDCQVRM-UHFFFAOYSA-N
Boiling Point:	347.5 °C at 760 mmHg
Density:	1.324 g/cm³
MDL:	MFCD08752938
LogP:	1.34950

Publication Number	Title	Priority Date
CN-112574230-A	Peptidyl arginine deiminase inhibitors and uses thereof	20190927
WO-2021057910-A1	Peptidylarginine deiminase inhibitor and use thereof	20190927
BR-112020012651-A2	compounds derived from aryl-bipyridine amine as inhibitors of phosphatidylinositol phosphate kinase, pharmaceutical composition comprising the same and therapeutic uses of said compounds	20171222
CN-112088157-A	Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors	20171222
EP-3728230-A1	Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

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Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5