5-Fluoronicotinonitrile

CAT: 0127-PC7108-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC7108-01Size:1 g

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CAS Number

696-42-4

Synonyms

3-Cyano-5-fluoropyridine, 5-Fluoropyridine-3-carbonitrile

MDL Number

MFCD09027295

Purity

98%

Smiles

Fc1cncc(c1)C#N

Storage Conditions

Store at 2-8°C

Chemical Information

5-Fluoropyridine-3-carbonitrile

CAS Number	696-42-4
PubChem CID	22463471
IUPAC Name	5-fluoropyridine-3-carbonitrile
Molecular Formula	C6H3FN2
Molecular Weight	122.10
XLogP	0.7
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	137

SMILES

C1=C(C=NC=C1F)C#N

InChI

InChI=1S/C6H3FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H

InChIKey

LQJWCPZRNHAVJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 696-42-4

CID: 22463471

Formula: C6H3FN2

MW: 122.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.10
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	122.02802627
Monoisotopic Mass	122.02802627
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC201096-01	5-Bromo-2-fluoronicotinonitrile
PC1005932-01	4-Fluoronicotinonitrile
PC10522-01	2-Fluoronicotinonitrile
PC1001749-01	4-Bromo-2-fluoronicotinonitrile
PC102077-01	2-Bromo-6-fluoronicotinonitrile
PC102253-01	2-Bromo-4-fluoronicotinonitrile
PC201012-01	2-Chloro-4-fluoronicotinonitrile
PC100686-01	6-Amino-4-fluoronicotinonitrile
PC1008141-01	5-Chloro-6-fluoropicolinonitrile
PC111235-01	5-Bromo-6-fluoropicolinonitrile

Catalog	Name
436604-01	5-Fluoronicotinonitrile
GAC82183	5-Bromo-2-fluoronicotinonitrile
sc-325821A	6-Chloro-5-fluoronicotinonitrile
416897-01	2-Chloro-5-fluoronicotinonitrile
LEC05862-01	6-Amino-5-fluoronicotinonitrile
RG-A262711-01	2,6-Dichloro-5-Fluoronicotinonitrile
418071-01	2-Fluoronicotinonitrile
JH916058	6-Chloro-2-fluoronicotinonitrile
sc-262725	5,5,5-Trifluorovaleronitrile
234404-01	5,5,5-Trifluoronorvaline