5-Cyano-2-fluoropyridine - CAS 3939-12-6

Catalog:	BB023962
Product Name:	5-Cyano-2-fluoropyridine
CAS:	3939-12-6
Synonyms:	6-fluoro-3-pyridinecarbonitrile; 6-fluoropyridine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	6-fluoropyridine-3-carbonitrile
Description:	5-Cyano-2-fluoropyridine (CAS# 3939-12-6) is a useful research chemical.
Molecular Weight:	122.10
Molecular Formula:	C6H3FN2
Canonical SMILES:	C1=CC(=NC=C1C#N)F
InChI:	InChI=1S/C6H3FN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
InChI Key:	VRLVOMUVHHHJHB-UHFFFAOYSA-N
Boiling Point:	223.8 °C at 760 mmHg
Purity:	98 %
Density:	1.24 g/cm³
Solubility:	Slightly soluble in water.
Appearance:	Off-white solid
MDL:	MFCD09261087
LogP:	1.09238

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JP-2021138858-A	Additives for rubber, rubber compositions, manufacturing methods of rubber compositions, tires and rubber belts	20200306
WO-2021155006-A1	Inhibitors of cyclin-dependent kinases and uses thereof	20200131
US-2021161889-A1	Muscarinic acetylcholine m1 receptor antagonists	20191202
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
WO-2021067805-A1	Oxalamide heterobycyclic compounds and compositions for treating conditions associated with sting activity	20191003

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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

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.02802627
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.02802627
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1