2-Bromo-5-fluoroisonicotinic Acid - CAS 885588-12-5

Catalog:	BB039003
Product Name:	2-Bromo-5-fluoroisonicotinic Acid
CAS:	885588-12-5
Synonyms:	2-bromo-5-fluoro-4-pyridinecarboxylic acid; 2-bromo-5-fluoropyridine-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-5-fluoropyridine-4-carboxylic acid
Description:	2-Bromo-5-fluoroisonicotinic Acid (CAS# 885588-12-5) is a useful research chemical.
Molecular Weight:	220.00
Molecular Formula:	C6H3BrFNO2
Canonical SMILES:	C1=C(C(=CN=C1Br)F)C(=O)O
InChI:	InChI=1S/C6H3BrFNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,(H,10,11)
InChI Key:	VRHKBNFQGHNLIJ-UHFFFAOYSA-N
Boiling Point:	406.7 °C at 760 mmHg
Density:	1.903 g/cm³
Appearance:	Solid
LogP:	1.68140

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic 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:	1.5