(3-Bromo-5-fluoropyridin-4-yl)methanol - CAS 1227586-02-8

Catalog:	BB070993
Product Name:	(3-Bromo-5-fluoropyridin-4-yl)methanol
CAS:	1227586-02-8
Synonyms:	(3-bromo-5-fluoropyridin-4-yl)methanol; 3-Bromo-5-fluoropyridine-4-methanol; (3-Bromo-5-fluoro-4-pyridyl)methanol

Technical Data

Computed Properties

IUPAC Name:	(3-bromo-5-fluoropyridin-4-yl)methanol
Description:	(3-bromo-5-fluoropyridin-4-yl)methanol (cas# 1227586-02-8) is used as a reagent in the synthetic preparation of tetrahydro-benzimidazole derivatives as modulators of TGR5.
Molecular Weight:	206.01
Molecular Formula:	C6H5NOFBr
Canonical SMILES:	C1=C(C(=C(C=N1)Br)CO)F
InChI:	InChI=1S/C6H5BrFNO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2
InChI Key:	ZWLOVNMLDKYAMK-UHFFFAOYSA-N

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Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.95385
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.95385
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8