Ethyl 2-cyanopyridine-3-carboxylate - CAS 75358-90-6

Catalog:	BB035304
Product Name:	Ethyl 2-cyanopyridine-3-carboxylate
CAS:	75358-90-6
Synonyms:	ethyl 2-cyanopyridine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-cyanopyridine-3-carboxylate
Description:	Ethyl 2-cyanopyridine-3-carboxylate (CAS# 75358-90-6) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	CCOC(=O)C1=C(N=CC=C1)C#N
InChI:	InChI=1S/C9H8N2O2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2H2,1H3
InChI Key:	KOAWFXMHARNHJY-UHFFFAOYSA-N
LogP:	1.12998

Publication Number	Title	Priority Date
AU-2012362236-A1	Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation	20111228
AU-2012362236-B2	Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation	20111228
AU-2016203755-A1	Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation	20111228
AU-2016203755-B2	Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation	20111228
AU-2017232206-A1	Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation	20111228

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Related Functional Groups

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[153259-31-5]
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[1198098-45-1]
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[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	63
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1