2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid

C13H10FNO3 — CID 61398552

IUPAC2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(F)cn2)c1
InChIInChI=1S/C13H10FNO3/c14-10-4-5-12(15-8-10)18-11-3-1-2-9(6-11)7-13(16)17/h1-6,8H,7H2,(H,16,17)
InChIKeyQUKCVNINQBYABD-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.64
Rot. Bonds4

About 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid

2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid (PubChem CID 61398552) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
PubChem CID61398552
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Oc2ccc(F)cn2)c1
InChIInChI=1S/C13H10FNO3/c14-10-4-5-12(15-8-10)18-11-3-1-2-9(6-11)7-13(16)17/h1-6,8H,7H2,(H,16,17)
InChIKeyQUKCVNINQBYABD-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-[3-[3-(6-methoxy-3-pyridinyl)phenoxy]phenyl]acetic acid
CID 59803473
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
2-[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398001
2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
CID 59803406
2-[3-(6-ethylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 61398539
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-[(5-formyl-6-methyl-2-pyridinyl)oxy]phenyl]acetic acid
CID 87856736
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid (CID 61398552) is 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid is O=C(O)Cc1cccc(Oc2ccc(F)cn2)c1.
What is the InChIKey of 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid?
The InChIKey is QUKCVNINQBYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-10-4-5-12(15-8-10)18-11-3-1-2-9(6-11)7-13(16)17/h1-6,8H,7H2,(H,16,17).
What are the key properties of 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid?
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid has a molecular weight of 247.23 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 2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid is sourced from PubChem (CID 61398552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).