4-Bromo-2-chloro-5-nitropyridine - CAS 1261767-18-3

Catalog:	BB006524
Product Name:	4-Bromo-2-chloro-5-nitropyridine
CAS:	1261767-18-3
Synonyms:	4-bromo-2-chloro-5-nitropyridine; 4-bromo-2-chloro-5-nitropyridine

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-bromo-2-chloro-5-nitropyridine
Description:	4-Bromo-2-chloro-5-nitropyridine CGRP receptor antagonists useful for treatment of migraine.
Molecular Weight:	237.44
Molecular Formula:	C5H2BrClN2O2
Canonical SMILES:	C1=C(C(=CN=C1Cl)[N+](=O)[O-])Br
InChI:	InChI=1S/C5H2BrClN2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H
InChI Key:	DVBAUHSXNQFCQQ-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	2.92890

Publication Number	Title	Priority Date
WO-2021048618-A1	1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as lrrk2, nuak1 and/or tyk2 kinase modulators for the treatment of e.g. autoimmune disease	20190913
WO-2021048620-A1	1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as lrrk2, nuak1 and/or tyk2 kinase modulators for the treatment of e.g. autoimmune disease	20190913
WO-2016022644-A1	Heterocyclic cgrp receptor antagonists	20140806

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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