(S)-1-(4-Pyridyl)-1,3-propanediol - CAS 685111-87-9

Catalog:	BB033568
Product Name:	(S)-1-(4-Pyridyl)-1,3-propanediol
CAS:	685111-87-9
Synonyms:	(1S)-1-pyridin-4-ylpropane-1,3-diol; (1S)-1-pyridin-4-ylpropane-1,3-diol

Technical Data

Patents

Computed Properties

IUPAC Name:	(1S)-1-pyridin-4-ylpropane-1,3-diol
Description:	(S)-1-(4-Pyridyl)-1,3-propanediol (CAS# 685111-87-9 ) is a useful research chemical.
Molecular Weight:	153.18
Molecular Formula:	C8H11NO2
Canonical SMILES:	C1=CN=CC=C1C(CCO)O
InChI:	InChI=1S/C8H11NO2/c10-6-3-8(11)7-1-4-9-5-2-7/h1-2,4-5,8,10-11H,3,6H2/t8-/m0/s1
InChI Key:	QDPWSASGSYTONB-QMMMGPOBSA-N
LogP:	0.49740

Publication Number	Title	Priority Date
US-2020131212-A1	Compound for treating metabolic diseases and preparation method and use thereof	20171219
US-11028111-B2	Compound for treating metabolic diseases and preparation method and use thereof	20171219
EP-3476854-A1	Liver delivery-based antiviral precursor drug nucleoside cyclophosphate compound and use thereof	20160624
WO-2017220028-A1	Liver delivery-based antiviral precursor drug nucleoside cyclophosphate compound and use thereof	20160624
AU-2009309037-A1	Novel cyclic benzimidazole derivatives useful anti-diabetic agents	20081031

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Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	153.078978594
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3