3-(2-Pyridyl)propiolic Acid - CAS 858678-71-4

Catalog:	BB037752
Product Name:	3-(2-Pyridyl)propiolic Acid
CAS:	858678-71-4
Synonyms:	3-(2-pyridinyl)-2-propynoic acid; 3-pyridin-2-ylprop-2-ynoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-pyridin-2-ylprop-2-ynoic acid
Description:	3-(2-Pyridyl)propiolic Acid (CAS# 858678-71-4) is a useful reagent in the regioselective Pd-catalyzed carbopalladation/decarboxylative allylic alkynylation of ortho-iodoallenamides.
Molecular Weight:	147.13
Molecular Formula:	C8H5NO2
Canonical SMILES:	C1=CC=NC(=C1)C#CC(=O)O
InChI:	InChI=1S/C8H5NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-3,6H,(H,10,11)
InChI Key:	PALVOZXUYYJTDL-UHFFFAOYSA-N
LogP:	0.51770

Publication Number	Title	Priority Date
CN-111203279-A	Sandwich nano-material ZIF-8@ Au25@ ZIF-67 and preparation method and application thereof	20200206
EP-2638029-B1	Triazole derivatives and their use for neurological disorders	20101109
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2558577-B1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-3540059-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.032028402
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1