3-Iodo-1H-indazole - CAS 66607-27-0

Catalog:	BB033067
Product Name:	3-Iodo-1H-indazole
CAS:	66607-27-0
Synonyms:	3-iodo-2H-indazole; 3-iodo-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-iodo-2H-indazole
Description:	3-Iodo-1H-indazole (CAS# 66607-27-0) is a useful research chemical.
Molecular Weight:	244.03
Molecular Formula:	C7H5IN2
Canonical SMILES:	C1=CC2=C(NN=C2C=C1)I
InChI:	InChI=1S/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
InChI Key:	UDKYMMQGPNFWDA-UHFFFAOYSA-N
Boiling Point:	206.934 °C at 760 mmHg
Density:	2.083 g/cm³
MDL:	MFCD04972469
LogP:	2.16750

Publication Number	Title	Priority Date
CN-111995577-A	Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof	20200909
WO-2021124172-A1	3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20191218
WO-2021083060-A1	Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof	20191028
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704

PMID	Publication Date	Title	Journal
22162199	20120102	Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors	ChemMedChem

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.94975
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.94975
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2