3-(4-Pyridyl)-2-propyn-1-ol - CAS 93524-95-9

Catalog:	BB040952
Product Name:	3-(4-Pyridyl)-2-propyn-1-ol
CAS:	93524-95-9
Synonyms:	3-pyridin-4-yl-2-propyn-1-ol; 3-pyridin-4-ylprop-2-yn-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	3-pyridin-4-ylprop-2-yn-1-ol
Description:	3-(4-Pyridyl)-2-propyn-1-ol (CAS# 93524-95-9) is a useful research chemical.
Molecular Weight:	133.15
Molecular Formula:	C8H7NO
Canonical SMILES:	C1=CN=CC=C1C#CCO
InChI:	InChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,7H2
InChI Key:	QYFHTILWEGBMKR-UHFFFAOYSA-N
Storage:	Keep in inert atmosphere, store at 2-8 °C.
LogP:	0.42540

Publication Number	Title	Priority Date
CN-111285873-A	RET inhibitors, pharmaceutical compositions thereof and uses thereof	20181207
CN-111285874-A	RET inhibitors, pharmaceutical compositions thereof and uses thereof	20181207
WO-2020114487-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
WO-2020114494-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
EP-3891148-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207

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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4