5-methyl-6-phenoxypyridine-3-carboxylic acid

C13H11NO3 — CID 15687066

IUPAC5-methyl-6-phenoxypyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Oc1ccccc1
InChIInChI=1S/C13H11NO3/c1-9-7-10(13(15)16)8-14-12(9)17-11-5-3-2-4-6-11/h2-8H,1H3,(H,15,16)
InChIKeyGDHUJMAMKQPIFJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.88
Rot. Bonds3

About 5-methyl-6-phenoxypyridine-3-carboxylic acid

5-methyl-6-phenoxypyridine-3-carboxylic acid (PubChem CID 15687066) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-methyl-6-phenoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-phenoxypyridine-3-carboxylic acid
PubChem CID15687066
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name5-methyl-6-phenoxypyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Oc1ccccc1
InChIInChI=1S/C13H11NO3/c1-9-7-10(13(15)16)8-14-12(9)17-11-5-3-2-4-6-11/h2-8H,1H3,(H,15,16)
InChIKeyGDHUJMAMKQPIFJ-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
1-(5-methyl-6-phenoxy-3-pyridinyl)ethanol
CID 102544608
(1S)-1-(5-methyl-6-phenoxy-3-pyridinyl)ethanol
CID 124501265
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenoxypyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-phenoxypyridine-3-carboxylic acid (CID 15687066) is 5-methyl-6-phenoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-phenoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-phenoxypyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1Oc1ccccc1.
What is the InChIKey of 5-methyl-6-phenoxypyridine-3-carboxylic acid?
The InChIKey is GDHUJMAMKQPIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-9-7-10(13(15)16)8-14-12(9)17-11-5-3-2-4-6-11/h2-8H,1H3,(H,15,16).
What are the key properties of 5-methyl-6-phenoxypyridine-3-carboxylic acid?
5-methyl-6-phenoxypyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenoxypyridine-3-carboxylic acid is sourced from PubChem (CID 15687066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).