5-Fluoronicotinic acid

CAT: 0127-PC2505-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC2505-01Size:5 g

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CAS Number

402-66-4

Synonyms

5-Fluoropyridine-3-carboxylic acid, 3-Carboxy-5-fluoropyridine

MDL Number

MFCD01318537

Purity

97%

Smiles

OC(=O)c1cncc(F)c1

Chemical Information

5-Fluoronicotinic Acid

CAS Number	402-66-4
PubChem CID	120232
IUPAC Name	5-fluoropyridine-3-carboxylic acid
Molecular Formula	C6H4FNO2
Molecular Weight	141.10
XLogP	0.5
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=C(C=NC=C1F)C(=O)O

InChI

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

InChIKey

BXZSBDDOYIWMGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 402-66-4

CID: 120232

Formula: C6H4FNO2

MW: 141.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.10
XLogP3	0.5
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

Catalog	Name
PC305016	5-Bromo-6-fluoronicotinic acid
PC1017391-01	5- (Benzyloxy) -6-fluoronicotinic acid
PC1007370-01	5-Amino-2-fluoronicotinic acid
PC1009830-01	5-Ethoxy-2-fluoronicotinic acid
PC1009815-01	5- (Benzyloxy) -2-fluoronicotinic acid
PC305021	5-Chloro-6-fluoronicotinic acid
PC57029-01	5-Bromo-2-fluoronicotinic acid
PC8476-01	2-Fluoronicotinic acid
PC3965-01	6-Fluoronicotinic acid
PC56751	4-Fluoronicotinic acid

Catalog	Name
277730-01	5-Fluoronicotinic acid
234210-01	5-Fluoronicotinic acid 98+%
415273-01	2-Amino-5-fluoronicotinic acid
sc-311158	5-Chloro-2-fluoronicotinic acid
sc-318599A	5-Chloro-6-fluoronicotinic acid
416896-01	2-Chloro-5-fluoronicotinic acid
sc-482437	5-Bromo-2-fluoronicotinic acid
NBA18687-01	6-Bromo-5-fluoronicotinic acid
NBA18686-01	6-Chloro-5-fluoronicotinic acid
JH243626	5-Bromo-6-fluoronicotinic acid