2-Chloro-5-iodo-3-(trifluoromethyl)pyridine - CAS 887707-25-7

Catalog:	BB039197
Product Name:	2-Chloro-5-iodo-3-(trifluoromethyl)pyridine
CAS:	887707-25-7
Synonyms:	2-chloro-5-iodo-3-(trifluoromethyl)pyridine; 2-chloro-5-iodo-3-(trifluoromethyl)pyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-5-iodo-3-(trifluoromethyl)pyridine
Description:	2-Chloro-5-iodo-3-(trifluoromethyl)pyridine (CAS# 887707-25-7) is a useful research chemical.
Molecular Weight:	307.44
Molecular Formula:	C6H2ClF3IN
Canonical SMILES:	C1=C(C(=NC=C1I)Cl)C(F)(F)F
InChI:	InChI=1S/C6H2ClF3IN/c7-5-4(6(8,9)10)1-3(11)2-12-5/h1-2H
InChI Key:	KUASPTUGCBGXAE-UHFFFAOYSA-N
Boiling Point:	261.255 °C at 760 mmHg
Density:	2.047 g/cm³
MDL:	MFCD12024302
LogP:	3.35840

Publication Number	Title	Priority Date
WO-2021033098-A1	Process for the preparation of apalutamide	20190822
WO-2020114475-A1	Aromatic ring derivative as immunoregulation and preparation method and application of aromatic ring derivative	20181206
WO-2020114477-A1	Compound acting as immunomodulator, preparation method therefor and uses thereof	20181206
EP-3892616-A1	Aromatic ring derivative as immunoregulation and preparation method and application of aromatic ring derivative	20181206
CN-108383749-B	Synthetic method of apaluamide and intermediate thereof	20180130

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.88726
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	306.88726
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3