6-(Hydroxymethyl)pyridine-2-carbonitrile - CAS 50501-38-7

Catalog:	BB027082
Product Name:	6-(Hydroxymethyl)pyridine-2-carbonitrile
CAS:	50501-38-7
Synonyms:	6-(hydroxymethyl)-2-pyridinecarbonitrile; 6-(hydroxymethyl)pyridine-2-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	6-(hydroxymethyl)pyridine-2-carbonitrile
Description:	6-(Hydroxymethyl)pyridine-2-carbonitrile (CAS# 50501-38-7) is a useful research chemical.
Molecular Weight:	134.14
Molecular Formula:	C7H6N2O
Canonical SMILES:	C1=CC(=NC(=C1)CO)C#N
InChI:	InChI=1S/C7H6N2O/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,5H2
InChI Key:	VNXYECKZHAPGDI-UHFFFAOYSA-N
Boiling Point:	310.478 °C at 760 mmHg
Density:	1.257 g/cm³
LogP:	0.44558

Publication Number	Title	Priority Date
AU-2014249248-A1	Pyridinyl and fused pyridinyl triazolone derivatives	20130311
AU-2014249248-B2	Pyridinyl and fused pyridinyl triazolone derivatives	20130311
CA-2899948-A1	Pyridinyl and fused pyridinyl triazolone derivatives	20130311
DK-2970202-T3	PYRIDINYL AND FUSIONED PYRIDINYLTRIAZOLON DERIVATIVES	20130311
EA-028584-B1	PYRIDINYL AND CONDENSED PYRIDINYL DERIVATIVES OF TRIAZOLONE	20130311

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.048012819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4