6-Fluoronicotinic acid

CAT: 0127-PC3965-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC3965-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

403-45-2

Synonyms

2-Fluoropyridine-5-carboxylic acid, 6-Fluoropyridine-3-carboxylic acid, 5-Carboxy-2-fluoropyridine

MDL Number

MFCD01859863

Purity

97%

Smiles

OC(=O)c1ccc(F)nc1

Chemical Information

6-Fluoronicotinic Acid

CAS Number	403-45-2
PubChem CID	242819
IUPAC Name	6-fluoropyridine-3-carboxylic acid
Molecular Formula	C6H4FNO2
Molecular Weight	141.10
XLogP	2.1
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=CC(=NC=C1C(=O)O)F

InChI

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

InChIKey

UJDLCTNVHJEBDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 403-45-2

CID: 242819

Formula: C6H4FNO2

MW: 141.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.10
XLogP3	2.1
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
PC1012976-01	6-cyano-2-fluoronicotinic acid
PC1006473-01	6-Chloro-4-fluoronicotinic acid
PC201063	6-Chloro-2-fluoronicotinic acid
PC1009820-01	6-ethyl-2-fluoronicotinic acid
PC1020603-01	6- (ethylthio) -2-fluoronicotinic acid
PC910731-01	6-Bromo-2-fluoronicotinic acid
PC10650-01	6-Chloro-5-fluoronicotinic acid
PC305017-01	6-Bromo-5-fluoronicotinic acid
PC3941-01	2,6-Dichloro-5-fluoronicotinic acid
PC8476-01	2-Fluoronicotinic acid

Catalog	Name
FF35006-01	6-Fluoronicotinic acid
JH141305	6-Fluoronicotinic acid methyl ester
sc-318599A	5-Chloro-6-fluoronicotinic acid
PYB34517-01	6-Bromo-2-fluoronicotinic acid
NBA18687-01	6-Bromo-5-fluoronicotinic acid
NBA18686-01	6-Chloro-5-fluoronicotinic acid
JH243626	5-Bromo-6-fluoronicotinic acid
904012	2,6‐DICHLORO‐5‐FLUORONICOTINIC ACID
HY-W002688	2,6-Dichloro-5-fluoronicotinic acid
277730-01	5-Fluoronicotinic acid