6-Fluoro-2-methoxynicotinic acid

CAT: 0127-PC111082-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC111082-01Size:100 mg

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CAS Number

188192-51-0

Purity

98%

Smiles

O=C(O)C1=C(OC)N=C(F)C=C1

Chemical Information

6-Fluoro-2-methoxynicotinic acid

CAS Number	188192-51-0
PubChem CID	72211897
IUPAC Name	6-fluoro-2-methoxypyridine-3-carboxylic acid
Molecular Formula	C7H6FNO3
Molecular Weight	171.13
XLogP	1.1
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

COC1=C(C=CC(=N1)F)C(=O)O

InChI

InChI=1S/C7H6FNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3H,1H3,(H,10,11)

InChIKey

YYIAQQLWQVFRFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188192-51-0

CID: 72211897

Formula: C7H6FNO3

MW: 171.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.13
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	171.03317122
Monoisotopic Mass	171.03317122
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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
PC1026479	2-Fluoro-6-methoxynicotinic acid
PC200151	2-Chloro-5-fluoro-6-methoxynicotinic acid
PC100321-01	2-Fluoro-4-methoxynicotinic acid
PC10656-01	5-Fluoro-2-methoxynicotinic acid
PC102133-01	4-Fluoro-2-methoxynicotinic acid
OR1913-01	6-Methoxynicotinic acid
OR82698-01	6-Amino-2-methoxynicotinic acid
OR1072194-01	2-Bromo-6-methoxynicotinic acid
OR87560-01	2-Amino-6-methoxynicotinic acid
OR71022-01	2-Ethyl-6-methoxynicotinic acid

Catalog	Name
416889-01	2-Chloro-5-fluoro-6-methoxynicotinic acid
sc-396399	5-Fluoro-2-methoxynicotinic acid
M7060-01	6-Methoxynicotinic Acid
QCA51533	6-Chloro-2-methoxynicotinic acid
abx181038-01	2-Chloro-6-methoxynicotinic acid
KSB80662-01	6-Bromo-2-methoxynicotinic acid
FM15284-01	2-Methoxynicotinic acid
TRC-B711090-10MG	5-Bromo-6-methoxynicotinic Acid
sc-325938	6-Hydroxy-5-methoxynicotinic acid
sc-325818A	6-Chloro-4-methoxynicotinic acid