5-Bromo-2-chloro-3-nitropyridine - CAS 67443-38-3

Catalog:	BB033278
Product Name:	5-Bromo-2-chloro-3-nitropyridine
CAS:	67443-38-3
Synonyms:	5-bromo-2-chloro-3-nitropyridine

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Computed Properties

IUPAC Name:	5-bromo-2-chloro-3-nitropyridine
Description:	5-Bromo-2-chloro-3-nitropyridine preparation of pyrroloquinolines and related compounds as dual ATM and DNA-PK inhibitors for use in antitumor therapy.
Molecular Weight:	237.44
Molecular Formula:	C5H2BrClN2O2
Canonical SMILES:	C1=C(C(=NC=C1Br)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C5H2BrClN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
InChI Key:	WWQQPSDIIVXFOX-UHFFFAOYSA-N
Boiling Point:	285.4 ℃ at 760 mmHg
Purity:	95+ %
Density:	1.936 g/cm³
MDL:	MFCD00222270
LogP:	2.92890

Publication Number	Title	Priority Date
CN-111763170-A	Preparation method of flumatinib intermediate	20200710
WO-2021170109-A1	Tropomyosin receptor kinase (trk) degradation compounds and methods of use	20200226
WO-2021066958-A1	Inhibitor of btk and mutants thereof	20191005
WO-2021047406-A1	Tricyclic compound, pharmaceutical composition containing same, preparation method therefor and use thereof	20190910
CN-112441970-A	2, 5-disubstituted-3-aminopyridine compound and preparation method and application thereof	20190904

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GHS Hazard Statement:	H301 (89.13%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.89882
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.89882
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3