1-(2-Pyridyl)-2-propyn-1-ol - CAS 276884-47-0

Catalog:	BB019648
Product Name:	1-(2-Pyridyl)-2-propyn-1-ol
CAS:	276884-47-0
Synonyms:	1-(2-pyridinyl)-2-propyn-1-ol; 1-pyridin-2-ylprop-2-yn-1-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-pyridin-2-ylprop-2-yn-1-ol
Description:	1-(2-Pyridyl)-2-propyn-1-ol (CAS# 276884-47-0) is a useful research chemical.
Molecular Weight:	133.15
Molecular Formula:	C8H7NO
Canonical SMILES:	C#CC(C1=CC=CC=N1)O
InChI:	InChI=1S/C8H7NO/c1-2-8(10)7-5-3-4-6-9-7/h1,3-6,8,10H
InChI Key:	NVIBNTUUTHBRCQ-UHFFFAOYSA-N
LogP:	0.74820

Publication Number	Title	Priority Date
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
WO-2020114487-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
WO-2020114494-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
EP-3611164-A1	Pyridone compound, and agricultural and horticultural fungicide having this as active component	20170410
EP-2994469-A1	Benzimidazole derivatives as bromodomain inhibitors	20130509

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.052763847
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3