3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid

C13H9F2NO3 — CID 81446392

IUPAC3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1cc(F)ccc1F
InChIInChI=1S/C13H9F2NO3/c14-9-1-2-11(15)8(5-9)7-19-12-6-16-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyOOTWRZVQZHUHAB-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.64
Rot. Bonds4

About 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid

3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81446392) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID81446392
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1cc(F)ccc1F
InChIInChI=1S/C13H9F2NO3/c14-9-1-2-11(15)8(5-9)7-19-12-6-16-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyOOTWRZVQZHUHAB-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 3-[(2,5-difluorophenyl)methoxy]pyridine-4-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

3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81438798
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081
2-[(2,5-difluorophenyl)methoxy]-5-iodobenzoic acid
CID 115281933
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid
CID 102663375

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid (CID 81446392) is 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is OOTWRZVQZHUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-9-1-2-11(15)8(5-9)7-19-12-6-16-4-3-10(12)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid?
3-[(2,5-difluorophenyl)methoxy]pyridine-4-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 3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81446392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).