5-Methoxypyridine-2-carbonitrile - CAS 89809-63-2

Name: 5-Methoxypyridine-2-carbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039610
Product Name:	5-Methoxypyridine-2-carbonitrile
CAS:	89809-63-2
Synonyms:	5-methoxy-2-pyridinecarbonitrile; 5-methoxypyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methoxypyridine-2-carbonitrile
Description:	5-Methoxypyridine-2-carbonitrile (CAS# 89809-63-2) is a useful research chemical.
Molecular Weight:	134.14
Molecular Formula:	C7H6N2O
Canonical SMILES:	COC1=CN=C(C=C1)C#N
InChI:	InChI=1S/C7H6N2O/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,1H3
InChI Key:	XUGRSPXJFBZQSS-UHFFFAOYSA-N
Boiling Point:	280.8 °C at 760 mmHg
Density:	1.115 g/cm³
MDL:	MFCD08543467
LogP:	0.96188

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
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
CN-111094300-A	Benzo-heteroaryl derivative, preparation method and application thereof in medicine	20180131
TW-201934558-A	Benzo-heteroaryl derivative, preparation method thereof and application thereof in medicine	20180131
WO-2019149205-A1	Benzoheteroaryl derivative and preparation method and medical application thereof	20180131

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9