3-Bromo-2-chloro-5-(hydroxymethyl)pyridine - CAS 904745-59-1

Catalog:	BB039863
Product Name:	3-Bromo-2-chloro-5-(hydroxymethyl)pyridine
CAS:	904745-59-1
Synonyms:	(5-bromo-6-chloro-3-pyridinyl)methanol; (5-bromo-6-chloropyridin-3-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-bromo-6-chloropyridin-3-yl)methanol
Description:	3-Bromo-2-chloro-5-(hydroxymethyl)pyridine (CAS# 904745-59-1) is a useful research chemical.
Molecular Weight:	222.47
Molecular Formula:	C6H5BrClNO
Canonical SMILES:	C1=C(C=NC(=C1Br)Cl)CO
InChI:	InChI=1S/C6H5BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChI Key:	QWDIYYDBPYBDCM-UHFFFAOYSA-N
MDL:	MFCD15526782
LogP:	1.98980

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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:	220.9243
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.9243
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6