3-Pyridylacetonitrile - CAS 6443-85-2

Name: 3-Pyridylacetonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032472
Product Name:	3-Pyridylacetonitrile
CAS:	6443-85-2
Synonyms:	2-pyridin-3-ylacetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-pyridin-3-ylacetonitrile
Description:	3-Pyridylacetonitrile (CAS# 6443-85-2) is a reactant used in the preparation of 1,7-naphthyridine derivatives as phosphodiesterase-4 inhibitors.
Molecular Weight:	118.14
Molecular Formula:	C7H6N2
Canonical SMILES:	C1=CC(=CN=C1)CC#N
InChI:	InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2
InChI Key:	OIPHWUPMXHQWLR-UHFFFAOYSA-N
Boiling Point:	105 °C (1.5 torr)
Purity:	95 %
Density:	1.108 g/cm³
Appearance:	Liquid
Storage:	2-8 °C
MDL:	MFCD00006406
LogP:	1.14768

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Related Functional Groups

Pyridines

[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine

GHS Hazard Statement:	H302 (11.11%): 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
CN-113214104-A	Method for synthesizing aromatic acetamide	20210416
CN-113061098-A	Amide compound and derivative thereof, preparation method, pharmaceutical composition and application	20210118
WO-2021143680-A1	Heteroaryl derivative, preparation method therefor, and use thereof	20200116
WO-2021110891-A1	Pesticidally active fused bicyclic heteroaromatic amino compounds	20191204
CN-110483381-A	A kind of preparation method and application of the near infrared fluorescent compound of solid-state soda acid stimuli responsive	20190911

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.053098200
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	118.053098200
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5