5-Ethynylpyridine-2-methanol - CAS 1033705-77-9

Catalog:	BB001097
Product Name:	5-Ethynylpyridine-2-methanol
CAS:	1033705-77-9
Synonyms:	(5-ethynyl-2-pyridinyl)methanol; (5-ethynylpyridin-2-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(5-ethynylpyridin-2-yl)methanol
Description:	5-Ethynylpyridine-2-methanol (CAS# 1033705-77-9 ) is a useful research chemical.
Molecular Weight:	133.15
Molecular Formula:	C8H7NO
Canonical SMILES:	C#CC1=CN=C(C=C1)CO
InChI:	InChI=1S/C8H7NO/c1-2-7-3-4-8(6-10)9-5-7/h1,3-5,10H,6H2
InChI Key:	FIPXIXCYBODHTF-UHFFFAOYSA-N
LogP:	0.55520

Publication Number	Title	Priority Date
CN-111285873-A	RET inhibitors, pharmaceutical compositions thereof and uses thereof	20181207
WO-2020114487-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
EP-3891149-A1	Ret inhibitors, pharmaceutical compositions and uses thereof	20181207
KR-20210100672-A	RET inhibitors, pharmaceutical compositions and uses thereof	20181207
JP-2016124810-A	Novel condensed pyrazole derivatives and their pharmaceutical use	20141226

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	2
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2