6-(phenoxymethyl)pyridine-2-carboxylic acid

C13H11NO3 — CID 54566453

IUPAC6-(phenoxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccccc2)n1
InChIInChI=1S/C13H11NO3/c15-13(16)12-8-4-5-10(14-12)9-17-11-6-2-1-3-7-11/h1-8H,9H2,(H,15,16)
InChIKeyZUDUSXIPZVTUOI-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.36
Rot. Bonds4

About 6-(phenoxymethyl)pyridine-2-carboxylic acid

6-(phenoxymethyl)pyridine-2-carboxylic acid (PubChem CID 54566453) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-(phenoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(phenoxymethyl)pyridine-2-carboxylic acid
PubChem CID54566453
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name6-(phenoxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccccc2)n1
InChIInChI=1S/C13H11NO3/c15-13(16)12-8-4-5-10(14-12)9-17-11-6-2-1-3-7-11/h1-8H,9H2,(H,15,16)
InChIKeyZUDUSXIPZVTUOI-UHFFFAOYSA-N
XLogP2.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(phenoxymethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-[(2-phenoxyethylamino)methyl]pyridine-2-carboxylic acid
CID 106904547
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
6-[(3-phenoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904670
6-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 11501161
6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
CID 150138624
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
ethane;3-[6-(phenoxymethyl)-2-pyridinyl]propanoic acid
CID 142004811

Frequently Asked Questions

What is the IUPAC name of 6-(phenoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(phenoxymethyl)pyridine-2-carboxylic acid (CID 54566453) is 6-(phenoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(phenoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(phenoxymethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2ccccc2)n1.
What is the InChIKey of 6-(phenoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is ZUDUSXIPZVTUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(16)12-8-4-5-10(14-12)9-17-11-6-2-1-3-7-11/h1-8H,9H2,(H,15,16).
What are the key properties of 6-(phenoxymethyl)pyridine-2-carboxylic acid?
6-(phenoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 54566453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).