2-Fluoroisonicotinic Acid

CAT: 1489-F1540-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-F1540-02Size:5 g

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CAS Number

402-65-3

Purity

0.97

Chemical Information

2-Fluoroisonicotinic acid

CAS Number	402-65-3
PubChem CID	345360
IUPAC Name	2-fluoropyridine-4-carboxylic acid
Molecular Formula	C6H4FNO2
Molecular Weight	141.10
XLogP	0.8
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	140

SMILES

C1=CN=C(C=C1C(=O)O)F

InChI

InChI=1S/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

InChIKey

JMPFWDWYGOWUFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 402-65-3

CID: 345360

Formula: C6H4FNO2

MW: 141.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.10
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	141.02260653
Monoisotopic Mass	141.02260653
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140
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

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Catalog	Name
PC2057	2-Fluoroisonicotinic acid
PC8767-01	3-Fluoroisonicotinic acid
269321-01	2-Chloro-3-fluoroisonicotinic acid
PC1006960-01	2-Amino-5-fluoroisonicotinic acid
415342-01	2-Amino-6-fluoroisonicotinic Acid
PC1020177-01	3- (cyclopropylmethoxy) -2-fluoroisonicotinic acid
PC305020-01	3-Chloro-2-fluoroisonicotinic acid
PC99317-01	2-Bromo-6-fluoroisonicotinic acid
PC1022982	2-Ethoxy-5-fluoroisonicotinic acid
PC305015-01	5-Bromo-2-fluoroisonicotinic acid