5-Hydroxypyridine-2-carbonitrile - CAS 86869-14-9

Catalog:	BB038101
Product Name:	5-Hydroxypyridine-2-carbonitrile
CAS:	86869-14-9
Synonyms:	5-hydroxy-2-pyridinecarbonitrile; 5-hydroxypyridine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-hydroxypyridine-2-carbonitrile
Description:	5-Hydroxypyridine-2-carbonitrile (CAS# 86869-14-9) is a useful research chemical.
Molecular Weight:	120.11
Molecular Formula:	C6H4N2O
Canonical SMILES:	C1=CC(=NC=C1O)C#N
InChI:	InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)4-8-5/h1-2,4,9H
InChI Key:	YUEKWNYGXNDQRO-UHFFFAOYSA-N
Boiling Point:	429.2 °C at 760 mmHg
Density:	1.33 g/cm³
Appearance:	Solid
MDL:	MFCD07368197
LogP:	0.65888

Publication Number	Title	Priority Date
WO-2021112251-A1	Azetidine sulfonamide compound	20191206
US-2020339559-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
WO-2020219871-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
WO-2020132636-A1	Analogues of pentamidine and uses therefor	20181220
TW-202039423-A	Analogues of pentamidine and uses therefor	20181220

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Related Functional Groups

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[514801-07-1]
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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+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.032362755
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	56.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5