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Methyl 5-Bromo-3-fluoropyridine-2-carboxylate

Methyl 5-Bromo-3-fluoropyridine-2-carboxylate - CAS 1211538-72-5

Catalog:	BB005076
Product Name:	Methyl 5-Bromo-3-fluoropyridine-2-carboxylate
CAS:	1211538-72-5
Synonyms:	5-bromo-3-fluoro-2-pyridinecarboxylic acid methyl ester; methyl 5-bromo-3-fluoropyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-3-fluoropyridine-2-carboxylate
Description:	Methyl 5-Bromo-3-fluoropyridine-2-carboxylate (CAS# 1211538-72-5) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	COC(=O)C1=NC=C(C=C1F)Br
InChI:	InChI=1S/C7H5BrFNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3
InChI Key:	UWDDDYSSTSVUJK-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD14698121
LogP:	1.76980

Publication Number	Title	Priority Date
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US-10851102-B2	Imidazole and triazole containing bicyclic compounds as JAK inhibitors	20190123

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-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:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.94877
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8