3-Bromopyridine-2-carboxylic Acid - CAS 30683-23-9

Catalog:	BB020677
Product Name:	3-Bromopyridine-2-carboxylic Acid
CAS:	30683-23-9
Synonyms:	3-bromo-2-pyridinecarboxylic acid; 3-bromopyridine-2-carboxylic acid

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Computed Properties

IUPAC Name:	3-bromopyridine-2-carboxylic acid
Description:	3-Bromopyridine-2-carboxylic Acid (CAS# 30683-23-9) is a compound useful in organic synthesis.
Molecular Weight:	202.01
Molecular Formula:	C6H4BrNO2
Canonical SMILES:	C1=CC(=C(N=C1)C(=O)O)Br
InChI:	InChI=1S/C6H4BrNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
InChI Key:	KBDIRPOTVAODSA-UHFFFAOYSA-N
Boiling Point:	315.7 °C at 760 mmHg
Density:	1.813 g/cm³
LogP:	1.54230

Publication Number	Title	Priority Date
CN-110683926-A	Preparation method of carboxylic acid aryl ester compound	20190929
CN-110204484-A	It is a kind of18The fluorine pyridinecarboxylic glycine and its preparation method and application of F label	20190621
WO-2020253824-A1	18f-labeled fluoropicolinylglycine, preparation method therefor and application thereof	20190621
CN-110066274-A	Pyridine -2- formic acid derivates and preparation method thereof and purposes	20190319
WO-2019177873-A1	Arginase inhibitors and methods of use	20180313

PMID	Publication Date	Title	Journal
21522841	20110112	Diaqua-(6-bromo-picolinato-κN,O)(nitrato-κO,O)copper(II)	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