6-Bromo-3-fluoropyridine-2-carboxylic Acid - CAS 1052714-48-3

Catalog:	BB001598
Product Name:	6-Bromo-3-fluoropyridine-2-carboxylic Acid
CAS:	1052714-48-3
Synonyms:	6-bromo-3-fluoro-2-pyridinecarboxylic acid; 6-bromo-3-fluoropyridine-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-3-fluoropyridine-2-carboxylic acid
Description:	6-Bromo-3-fluoropyridine-2-carboxylic Acid (CAS# 1052714-48-3) is a useful research chemical.
Molecular Weight:	220.00
Molecular Formula:	C6H3BrFNO2
Canonical SMILES:	C1=CC(=NC(=C1F)C(=O)O)Br
InChI:	InChI=1S/C6H3BrFNO2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,(H,10,11)
InChI Key:	XCYYBWHCNWDFMO-UHFFFAOYSA-N
MDL:	MFCD13185805
LogP:	1.68140

Publication Number	Title	Priority Date
WO-2013060029-A1	Allosteric modulators of metabotropic glutamate receptors	20111028
WO-2013063100-A1	Allosteric modulators of metabotropic glutamate receptors	20111028
EP-3085694-A1	Fused benzoxazepinones as ion channel modulators	20110701
EP-3085696-A1	Fused benzoxazepinones as ion channel modulators	20110701
EP-3085696-B1	Fused benzoxazepinones as ion channel modulators	20110701

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.93312
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.93312
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8