5-Bromo-2-pyridinecarboxylic acid - CAS 30766-11-1

Catalog:	BB020718
Product Name:	5-Bromo-2-pyridinecarboxylic acid
CAS:	30766-11-1
Synonyms:	5-bromo-2-pyridinecarboxylic acid; 5-bromopyridine-2-carboxylic acid

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Computed Properties

IUPAC Name:	5-bromopyridine-2-carboxylic acid
Description:	5-Bromo-2-pyridinecarboxylic acid (CAS# 30766-11-1) is a useful reagent for the preparation of antimalarial activity of sp3-Rich Bridged pyrrolidine derivatives.
Molecular Weight:	202.01
Molecular Formula:	C6H4BrNO2
Canonical SMILES:	C1=CC(=NC=C1Br)C(=O)O
InChI:	InChI=1S/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChI Key:	MNNQIBXLAHVDDL-UHFFFAOYSA-N
Boiling Point:	319.5 ℃ at 760 mmHg
Purity:	97.0 %
Density:	1.813 g/cm³
LogP:	1.54230

Publication Number	Title	Priority Date
CN-111732548-A	N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof	20200611
CN-111499611-A	Pyridine formyl aryl (heteroaryl) Î± -substituted amino acid compound, and preparation method and application thereof	20200424
JP-2021143175-A	Pharmaceutical composition containing an imidazolipyridinone compound	20200312
JP-2021143176-A	Method for Producing Imidazopyridinone Compound	20200312
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206

PMID	Publication Date	Title	Journal
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
21581123	20081108	Bis(5-bromo-pyridine-2-carboxyl-ato-κO)triphenyl-anti-mony(V)	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H315 (100%): 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

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:	1.4