5-Bromopyridine-3-carboxylic acid - CAS 20826-04-4

Name: 5-Bromopyridine-3-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016335
Product Name:	5-Bromopyridine-3-carboxylic acid
CAS:	20826-04-4
Synonyms:	5-bromopyridine-3-carboxylic acid

Technical Data

IUPAC Name:	5-bromopyridine-3-carboxylic acid
Description:	5-Bromopyridine-3-carboxylic acid (CAS# 20826-04-4) is used as a reactant in the synthesis of porphyrins with telomerase inhibiting activity.
Molecular Weight:	202.01
Molecular Formula:	C6H4BrNO2
Canonical SMILES:	C1=C(C=NC=C1Br)C(=O)O
InChI:	InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
InChI Key:	FQIUCPGDKPXSLL-UHFFFAOYSA-N
Boiling Point:	328.5 °C at 760 mmHg
Melting Point:	178-184 °C
Purity:	95 %
Density:	1.813 g/cm³
Appearance:	Light yellow cryst
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00009783
LogP:	1.54230

GHS Hazard Statement:	H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22930554	20120924	Exceptional crystallization diversity and solid-state conversions of Cd(II) coordination frameworks with 5-bromonicotinate directed by solvent media	Chemistry (Weinheim an der Bergstrasse, Germany)
22058804	20111001	2-(5-Bromo-pyridin-3-yl)-5-[3-(4,5,6,7-tetra-hydro-thieno[3,2-c]pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole	Acta crystallographica. Section E, Structure reports online
21836949	20110701	Tetra-kis(μ-5-bromo-nicotinato)-κO,O':O';κO:O,O';κO:O'-bis-[diaqua-(5-bromo-nicotinato-κO,O')neodymium(III)] dihydrate	Acta crystallographica. Section E, Structure reports online
21588877	20101023	catena-Poly[[bis-(μ-5-bromo-pyridine-3-carboxyl-ato-κO:O')dicopper(II)]-bis-(μ-5-bromo-pyridine-3-carboxyl-ato)-κO,O':N;κN:O,O']	Acta crystallographica. Section E, Structure reports online
21577774	20090930	Poly[(μ(3)-5-bromo-nicotinato)(5-bromo-nicotinato)copper(II)]	Acta crystallographica. Section E, Structure reports online

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.94254
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.94254
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1