2-Fluoropyridine-3-carbonitrile - CAS 3939-13-7

Catalog:	BB023963
Product Name:	2-Fluoropyridine-3-carbonitrile
CAS:	3939-13-7
Synonyms:	2-fluoropyridine-3-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoropyridine-3-carbonitrile
Description:	2-Fluoropyridine-3-carbonitrile (CAS# 3939-13-7) is a useful research chemical.
Molecular Weight:	122.10
Molecular Formula:	C6H3FN2
Canonical SMILES:	C1=CC(=C(N=C1)F)C#N
InChI:	InChI=1S/C6H3FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChI Key:	USIDQCCXMGJOJM-UHFFFAOYSA-N
Boiling Point:	214.6 °C at 760 mmHg
Density:	1.24 g/cm³
Solubility:	Water : Insoluble
Appearance:	White crystalline powder
MDL:	MFCD03095082
LogP:	1.09238

Publication Number	Title	Priority Date
CN-112125840-A	Based on CO2Method for preparing diaryl ether compound by participated C-F bond activation	20200811
CN-112125840-B	Based on CO2Method for preparing diaryl ether compound by participated C-F bond activation	20200811
WO-2021160109-A1	Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof	20200213
US-2021061809-A1	Triazolopyrimidines as a2a / a2b inhibitors	20190826
WO-2021041360-A1	Triazolopyrimidines as a2a / a2b inhibitors	20190826

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Related Functional Groups

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Nitrogen Compounds

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[1243387-55-4]
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[55877-31-1]
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[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
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[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]
Trimethyl(trifluoromethyl)silane

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, 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