Ethyl 5-fluoronicotinate

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CAS Number

22620-29-7

MDL Number

MFCD01692096

Purity

97%

Smiles

C1 (cncc (c1) C (=O) OCC) F

Chemical Information

Ethyl 5-fluoronicotinate

CAS Number	22620-29-7
PubChem CID	211184
IUPAC Name	ethyl 5-fluoropyridine-3-carboxylate
Molecular Formula	C8H8FNO2
Molecular Weight	169.15
XLogP	1.4
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

CCOC(=O)C1=CC(=CN=C1)F

InChI

InChI=1S/C8H8FNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3

InChIKey

GAOUAPNRNSFZGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22620-29-7

CID: 211184

Formula: C8H8FNO2

MW: 169.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.15
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	169.05390666
Monoisotopic Mass	169.05390666
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
PC1002442-01	Ethyl 5-chloro-2-fluoronicotinate
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PC251385-01	Ethyl 2-amino-5-fluoronicotinate
PC1023287	Ethyl 6-fluoronicotinate
PC51049-01	Ethyl 4,6-dichloro-5-fluoronicotinate
PC200006-01	Ethyl 2,6-dichloro-5-fluoronicotinate
PC99415-01	Ethyl 4-amino-6-chloro-5-fluoronicotinate
PC1013348	Ethyl 4-bromo-2-fluoronicotinate
PC1024064-01	Ethyl 2-bromo-4-fluoronicotinate
PC1023344-01	Ethyl 6-bromo-2-fluoronicotinate

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