2-Cyano-5-fluoropyridine - CAS 327056-62-2

Catalog:	BB021372
Product Name:	2-Cyano-5-fluoropyridine
CAS:	327056-62-2
Synonyms:	5-fluoropyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-fluoropyridine-2-carbonitrile
Description:	2-Cyano-5-fluoropyridine (CAS# 327056-62-2) is a useful research chemical.
Molecular Weight:	122.10
Molecular Formula:	C6H3FN2
Canonical SMILES:	C1=CC(=NC=C1F)C#N
InChI:	InChI=1S/C6H3FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChI Key:	BHXHRMVSUUPOLX-UHFFFAOYSA-N
Boiling Point:	214.9 °C at 760 mmHg
Melting Point:	35-41 °C
Purity:	98 %
Density:	1.24 g/cm³
Appearance:	White to tan solid, powder, crystals, or chunks
MDL:	MFCD08741371
LogP:	1.09238

Publication Number	Title	Priority Date
CN-111302968-A	Synthesis method of amide nitrogen trifluoromethyl compound	20200320
CN-111302968-B	Synthesis method of amide nitrogen trifluoromethyl compound	20200320
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
CN-112279845-A	Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof	20190724
US-2021024492-A1	Novel pyridazines	20190722

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GHS Hazard Statement:	H302 (95.83%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Danger

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