6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid

C14H13NO4 — CID 80631293

IUPAC6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCOc1cccc(Oc2ncc(C(=O)O)cc2C)c1
InChIInChI=1S/C14H13NO4/c1-9-6-10(14(16)17)8-15-13(9)19-12-5-3-4-11(7-12)18-2/h3-8H,1-2H3,(H,16,17)
InChIKeyFBIQNHWSTIGYFH-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.89
Rot. Bonds4

About 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid

6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid (PubChem CID 80631293) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
PubChem CID80631293
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCOc1cccc(Oc2ncc(C(=O)O)cc2C)c1
InChIInChI=1S/C14H13NO4/c1-9-6-10(14(16)17)8-15-13(9)19-12-5-3-4-11(7-12)18-2/h3-8H,1-2H3,(H,16,17)
InChIKeyFBIQNHWSTIGYFH-UHFFFAOYSA-N
XLogP2.89
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
5-chloro-6-(3-iodophenoxy)pyridine-3-carboxylic acid
CID 43144816
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid (CID 80631293) is 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid is COc1cccc(Oc2ncc(C(=O)O)cc2C)c1.
What is the InChIKey of 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
The InChIKey is FBIQNHWSTIGYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-6-10(14(16)17)8-15-13(9)19-12-5-3-4-11(7-12)18-2/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80631293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).