4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid

C13H9ClFNO3 — CID 106698444

IUPAC4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(COc2cncc(Cl)c2)cc1F
InChIInChI=1S/C13H9ClFNO3/c14-9-4-10(6-16-5-9)19-7-8-1-2-11(13(17)18)12(15)3-8/h1-6H,7H2,(H,17,18)
InChIKeyBDJKGAPLNFMGRE-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.15
Rot. Bonds4

About 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid

4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid (PubChem CID 106698444) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
PubChem CID106698444
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(COc2cncc(Cl)c2)cc1F
InChIInChI=1S/C13H9ClFNO3/c14-9-4-10(6-16-5-9)19-7-8-1-2-11(13(17)18)12(15)3-8/h1-6H,7H2,(H,17,18)
InChIKeyBDJKGAPLNFMGRE-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
CID 177378873
4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 106698232
2-fluoro-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106698429
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
2-[(5-chloro-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 64601752
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
4-(aminooxymethyl)-2-fluorobenzoic acid
CID 106698513
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698528
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile
CID 64601565

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid (CID 106698444) is 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid is O=C(O)c1ccc(COc2cncc(Cl)c2)cc1F.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
The InChIKey is BDJKGAPLNFMGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-9-4-10(6-16-5-9)19-7-8-1-2-11(13(17)18)12(15)3-8/h1-6H,7H2,(H,17,18).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid?
4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid has a molecular weight of 281.67 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid is sourced from PubChem (CID 106698444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).