5-Chloronicotinonitrile - CAS 51269-82-0

Catalog:	BB027387
Product Name:	5-Chloronicotinonitrile
CAS:	51269-82-0
Synonyms:	5-chloro-3-pyridinecarbonitrile; 5-chloropyridine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-chloropyridine-3-carbonitrile
Description:	5-Chloronicotinonitrile (CAS# 51269-82-0) is a useful research chemical.
Molecular Weight:	138.55
Molecular Formula:	C6H3ClN2
Canonical SMILES:	C1=C(C=NC=C1Cl)C#N
InChI:	InChI=1S/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
InChI Key:	VHVCXRPJVSZARD-UHFFFAOYSA-N
Boiling Point:	208.287 °C at 760 mmHg
Density:	1.331 g/cm³
MDL:	MFCD03411334
LogP:	1.60668

Publication Number	Title	Priority Date
EP-3192511-A1	Pharmaceutical containing sodium-dependent phosphate transporter inhibitor	20140912
WO-2015132141-A1	1,3-oxazine-2-amine derivatives acting as bace inhibitors for the treatment of alzheimer's disease	20140303
WO-2014166906-A1	Bace1 inhibitors	20130411
US-2016002251-A1	Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same	20130313
US-9499553-B2	Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same	20130313

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	137.9984758
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.9984758
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2