4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid

C13H10FNO3 — CID 63074970

IUPAC4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(COc2cccnc2)c1
InChIInChI=1S/C13H10FNO3/c14-12-4-3-9(13(16)17)6-10(12)8-18-11-2-1-5-15-7-11/h1-7H,8H2,(H,16,17)
InChIKeyZRCJDUFRRFEGJB-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.50
Rot. Bonds4

About 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid

4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid (PubChem CID 63074970) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
PubChem CID63074970
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(COc2cccnc2)c1
InChIInChI=1S/C13H10FNO3/c14-12-4-3-9(13(16)17)6-10(12)8-18-11-2-1-5-15-7-11/h1-7H,8H2,(H,16,17)
InChIKeyZRCJDUFRRFEGJB-UHFFFAOYSA-N
XLogP2.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 63073644
5-[(5-carbamoyl-2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63851699
1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
CID 117178708
3-[(3-cyanophenoxy)methyl]-4-fluorobenzoic acid
CID 107451983
3-[[3-(dimethylamino)phenoxy]methyl]-4-fluorobenzoic acid
CID 63075215
1-ethyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
CID 117179178
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
3-[(4-bromo-3-fluorophenoxy)methyl]-4-fluorobenzoic acid
CID 65202713
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
4-fluoro-3-[(4-propylphenoxy)methyl]benzoic acid
CID 63530139

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid (CID 63074970) is 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid is O=C(O)c1ccc(F)c(COc2cccnc2)c1.
What is the InChIKey of 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid?
The InChIKey is ZRCJDUFRRFEGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-12-4-3-9(13(16)17)6-10(12)8-18-11-2-1-5-15-7-11/h1-7H,8H2,(H,16,17).
What are the key properties of 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid?
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid has a molecular weight of 247.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid is sourced from PubChem (CID 63074970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).