6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid

C13H9F2NO3 — CID 106903359

IUPAC6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H9F2NO3/c14-8-4-9(15)6-11(5-8)19-7-10-2-1-3-12(16-10)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyMEOKVJJVTOWGFR-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.64
Rot. Bonds4

About 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid

6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903359) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903359
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H9F2NO3/c14-8-4-9(15)6-11(5-8)19-7-10-2-1-3-12(16-10)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyMEOKVJJVTOWGFR-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(3,5-difluorophenoxy)methyl]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-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63886141
4-[(3,5-difluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 62785193
6-[(2-fluoro-4-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903319
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
6-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 11501161
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid (CID 106903359) is 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2cc(F)cc(F)c2)n1.
What is the InChIKey of 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is MEOKVJJVTOWGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-8-4-9(15)6-11(5-8)19-7-10-2-1-3-12(16-10)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).