(R)-2-(1-Hydroxyethyl)pyridine - CAS 27911-63-3

Catalog:	BB019702
Product Name:	(R)-2-(1-Hydroxyethyl)pyridine
CAS:	27911-63-3
Synonyms:	(1R)-1-(2-pyridinyl)ethanol; (1R)-1-pyridin-2-ylethanol

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Computed Properties

IUPAC Name:	(1R)-1-pyridin-2-ylethanol
Description:	(R)-2-(1-Hydroxyethyl)pyridine (CAS# 27911-63-3) is a building block used in the synthesis of highly potent and selective chiral inhibitors of PDE5.
Molecular Weight:	123.15
Molecular Formula:	C7H9NO
Canonical SMILES:	CC(C1=CC=CC=N1)O
InChI:	InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3/t6-/m1/s1
InChI Key:	PPHIIIRFJKDTLG-ZCFIWIBFSA-N
Boiling Point:	210.6 °C at 760 mmHg
Density:	1.082 g/cm³
Solubility:	Soluble in ethanol and water.
Appearance:	Colorless solid
MDL:	MFCD04972322
LogP:	1.13490

Publication Number	Title	Priority Date
WO-2020210366-A1	Condensed azines for ep300 or cbp modulation and indications therefor	20190409
TW-202104221-A	Compounds and methods for ep300 or cbp modulation and indications therefor	20190409
US-2021315872-A1	COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR	20190409
US-2019161484-A1	Solid forms of a compound for modulating kinases	20171013
WO-2019075243-A1	SOLID FORMS OF A COMPOUND FOR MODULATING KINASES	20171013

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2