5-Fluoro-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester - CAS 928653-78-5

Name: 5-Fluoro-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040680
Product Name:	5-Fluoro-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
CAS:	928653-78-5
Synonyms:	tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 5-fluoro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate
Description:	5-Fluoro-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester (CAS# 928653-78-5) is a useful research chemical.
Molecular Weight:	362.14
Molecular Formula:	C12H12FIN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C=C(C2=CC(=CN=C21)F)I
InChI:	InChI=1S/C12H12FIN2O2/c1-12(2,3)18-11(17)16-6-9(14)8-4-7(13)5-15-10(8)16/h4-6H,1-3H3
InChI Key:	BAJKQOOMRKMSPR-UHFFFAOYSA-N
Boiling Point:	400.5 °C at 760 mmHg
Purity:	95 %
Density:	1.71 g/cm³
MDL:	MFCD08741532
LogP:	3.56320

Publication Number	Title	Priority Date
US-10562906-B2	TYK2 inhibitors and uses thereof	20170728
US-10562907-B2	TYK2 inhibitors and uses thereof	20170728
US-10570145-B2	TYK2 inhibitors and uses thereof	20170728
US-10577373-B2	TYK2 inhibitors and uses thereof	20170728
US-2019031664-A1	Tyk2 inhibitors and uses thereof	20170728

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	361.99275
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	361.99275
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3