4-(2-Pyridyl)-3-butyn-1-ol - CAS 395652-44-5

Catalog:	BB024037
Product Name:	4-(2-Pyridyl)-3-butyn-1-ol
CAS:	395652-44-5
Synonyms:	4-(2-pyridinyl)-3-butyn-1-ol; 4-pyridin-2-ylbut-3-yn-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	4-pyridin-2-ylbut-3-yn-1-ol
Description:	4-(2-Pyridyl)-3-butyn-1-ol (CAS# 395652-44-5) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	C1=CC=NC(=C1)C#CCCO
InChI:	InChI=1S/C9H9NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,4,8H2
InChI Key:	WYJPBKGKJJFGPR-UHFFFAOYSA-N
LogP:	0.81550

Publication Number	Title	Priority Date
US-2016068482-A1	Carbamate derivatives of lactam based n-acylethanolamine acid amidase (naaa) inhibitors	20130315
US-9828338-B2	Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors	20130315
WO-2014144836-A2	Carbamate derivatives of lactam based n-acylethanolamine acid amidase (naaa) inhibitors	20130315
AU-2005254808-A1	Alkynyl derivatives as modulators of metabotropic glutamate receptors	20040617
AU-2005254808-B2	Alkynyl derivatives as modulators of metabotropic glutamate receptors	20040617

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9