Methyl 6-bromo-5-fluoropyridine-2-carboxylate - CAS 1210419-26-3

Catalog:	BB075959
Product Name:	Methyl 6-bromo-5-fluoropyridine-2-carboxylate
CAS:	1210419-26-3
Synonyms:	Methyl 6-bromo-5-fluoropicolinate; methyl 6-bromo-5-fluoropyridine-2-carboxylate; 6-Bromo-5-fluoro-pyridine-2-carboxylic acid methyl ester; Methyl6-bromo-5-fluoropicolinate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 6-bromo-5-fluoropyridine-2-carboxylate
Description:	Methyl 6-bromo-5-fluoropyridine-2-carboxylate
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	COC(=O)C1=NC(=C(C=C1)F)Br
InChI:	InChI=1S/C7H5BrFNO2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,1H3
InChI Key:	AYMMPTHLFMQVFH-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	39.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2