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1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate

1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate - CAS 479552-94-8

Name: 1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026439
Product Name:	1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
CAS:	479552-94-8
Synonyms:	1H-pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate

Technical Data

Patents

Computed Properties

IUPAC Name:	1H-pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
Description:	1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate (CAS# 479552-94-8) is a useful research chemical.
Molecular Weight:	266.20
Molecular Formula:	C8H5F3N2O3S
Canonical SMILES:	C1=CNC2=NC=CC(=C21)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C8H5F3N2O3S/c9-8(10,11)17(14,15)16-6-2-4-13-7-5(6)1-3-12-7/h1-4H,(H,12,13)
InChI Key:	LRYTVOHQGBBSAZ-UHFFFAOYSA-N
Purity:	95 %
Density:	1.701 g/cm³
MDL:	MFCD09763669
LogP:	2.87210

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Related Functional Groups

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[1632145-37-9]0
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[1489-53-8]C6H3F3
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[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[113583-35-0]C7H10N2O4S
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
[1011349-32-8]C7H11N3OS
6-Amino-1-isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
[16837-08-4]C5H7N3OS
6-Amino-1-methyl-2-thio-uracil

Publication Number	Title	Priority Date
AU-2006233736-A1	Process for preparing bicyclic compounds	20050408
AU-2006233740-A1	Process for preparing bicyclic compounds	20050408
AU-2009200024-A1	Azaindoles	20010621
BG-108481-A	Azaindoli	20010621
CA-2451678-C	Azaindoles	20010621

Complexity:	379
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.99729769
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	265.99729769
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1