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3-(Chloromethyl)-5-fluoropyridine

3-(Chloromethyl)-5-fluoropyridine - CAS 39891-37-7

Catalog:	BB024185
Product Name:	3-(Chloromethyl)-5-fluoropyridine
CAS:	39891-37-7
Synonyms:	3-(chloromethyl)-5-fluoropyridine; 3-(chloromethyl)-5-fluoropyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(chloromethyl)-5-fluoropyridine
Description:	3-(Chloromethyl)-5-fluoropyridine (CAS# 39891-37-7) is a useful research chemical.
Molecular Weight:	145.56
Molecular Formula:	C6H5ClFN
Canonical SMILES:	C1=C(C=NC=C1F)CCl
InChI:	InChI=1S/C6H5ClFN/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,2H2
InChI Key:	FMCCVRHTUFNEPV-UHFFFAOYSA-N
Boiling Point:	191.1 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	2.76150

Publication Number	Title	Priority Date
US-2020392113-A1	Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators	20190614
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
WO-2020249802-A1	Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators	20190614
US-2021017169-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
WO-2019175897-A1	Bicyclic compounds as inhibitors of pd1/pd-l1 interaction/activation	20180313

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Complexity:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.009455
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.009455
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3