5-Bromo-2-chloro-4-iodopyridine - CAS 401892-47-5

Catalog:	BB024357
Product Name:	5-Bromo-2-chloro-4-iodopyridine
CAS:	401892-47-5
Synonyms:	5-bromo-2-chloro-4-iodopyridine; 5-bromo-2-chloro-4-iodopyridine

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-bromo-2-chloro-4-iodopyridine
Description:	5-Bromo-2-chloro-4-iodopyridine (CAS# 401892-47-5) is a useful research chemical.
Molecular Weight:	318.34
Molecular Formula:	C5H2BrClIN
Canonical SMILES:	C1=C(C(=CN=C1Cl)Br)I
InChI:	InChI=1S/C5H2BrClIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChI Key:	TYBBZOZWSLKHMV-UHFFFAOYSA-N
Boiling Point:	294.865 °C at 760 mmHg
Density:	2.396 g/cm³
MDL:	MFCD09972189
LogP:	3.10210

Publication Number	Title	Priority Date
AU-2018388404-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
WO-2019126731-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
BR-112020012635-A2	aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
CN-112020500-A	Aminopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase	20171222
EP-3728228-A1	Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	316.81039
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	316.81039
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2