6-Methoxynicotinic acid

CAT: 0127-OR1913-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1913-01Size:5 g

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CAS Number

66572-55-2

Synonyms

6-Methoxypyridine-3-carboxylic acid, 5-Carboxy-2-methoxypyridine, 2-Methoxypyridine-5-carboxylic acid

MDL Number

MFCD04115721

Purity

98%

Smiles

COc1ccc(cn1)C(=O)O

Chemical Information

6-Methoxynicotinic acid

6-Methoxy-pyridine-3-carboxylic acid is a member of pyridines and an aromatic carboxylic acid.

CAS Number	66572-55-2
PubChem CID	592499
IUPAC Name	6-methoxypyridine-3-carboxylic acid
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	0.7
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

COC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)

InChIKey

NVDJVEQITUWZDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66572-55-2

CID: 592499

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	153.042593085
Monoisotopic Mass	153.042593085
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
OR303695-01	6-Chloro-4-methoxynicotinic acid
OR1069902-01	6-Bromo-4-methoxynicotinic acid
OR82698-01	6-Amino-2-methoxynicotinic acid
OR951302-01	6-Hydroxy-5-methoxynicotinic acid
OR62002	6-Chloro-5-methoxynicotinic acid
PC111082-01	6-Fluoro-2-methoxynicotinic acid
OR314013-01	6-Bromo-2-methoxynicotinic acid
OR1080335	2,6-Dichloro-4-methoxynicotinic acid
OR9042	2-Methoxynicotinic acid
OR16421-01	5-Methoxynicotinic acid

Catalog	Name
M7060-01	6-Methoxynicotinic Acid
QCA51533	6-Chloro-2-methoxynicotinic acid
TRC-B711090-10MG	5-Bromo-6-methoxynicotinic Acid
abx181038-01	2-Chloro-6-methoxynicotinic acid
sc-325938	6-Hydroxy-5-methoxynicotinic acid
sc-325818A	6-Chloro-4-methoxynicotinic acid
KSB80662-01	6-Bromo-2-methoxynicotinic acid
438398-01	6-Chloro-5-methoxynicotinic acid
abx182216-01	5-Chloro-6-methoxynicotinic acid
FM15284-01	2-Methoxynicotinic acid