4-Chloro-2-iodopyridine - CAS 22918-03-2

Catalog:	BB017816
Product Name:	4-Chloro-2-iodopyridine
CAS:	22918-03-2
Synonyms:	4-chloro-2-iodopyridine; 4-chloro-2-iodopyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-2-iodopyridine
Description:	4-Chloro-2-iodopyridine (CAS# 22918-03-2) is used in the synthetic preparation of disubstituted chloropyridine derivatives by regioselective lithiathion of chloropyridines with butyllithium and dimethylaminoehanol which is then followed by substitution with electrophiles.
Molecular Weight:	239.44
Molecular Formula:	C5H3ClIN
Canonical SMILES:	C1=CN=C(C=C1Cl)I
InChI:	InChI=1S/C5H3ClIN/c6-4-1-2-8-5(7)3-4/h1-3H
InChI Key:	GGGYBMCVKQXJBU-UHFFFAOYSA-N
LogP:	2.33960

Publication Number	Title	Priority Date
WO-2021110574-A1	Alkynyl-(heteroaryl)-carboxamide hcn1 inhibitors	20191202
WO-2021057975-A1	Mutant idh2 inhibitor and application thereof	20190929
WO-2019113236-A1	Benzocarbonyl compounds	20171206
EP-3720430-A1	Benzocarbonyl compounds	20171206
CA-3084648-A1	Benzocarbonyl compounds	20171206

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Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.89987
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.89987
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2