3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid

C15H14FNO4 — CID 91521944

IUPAC3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1Oc1cccc(F)n1
InChIInChI=1S/C15H14FNO4/c1-20-12-9-10(6-8-15(18)19)5-7-11(12)21-14-4-2-3-13(16)17-14/h2-5,7,9H,6,8H2,1H3,(H,18,19)
InChIKeyBDNFTKPFWDUWBY-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.04
Rot. Bonds6

About 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid

3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid (PubChem CID 91521944) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid
PubChem CID91521944
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1Oc1cccc(F)n1
InChIInChI=1S/C15H14FNO4/c1-20-12-9-10(6-8-15(18)19)5-7-11(12)21-14-4-2-3-13(16)17-14/h2-5,7,9H,6,8H2,1H3,(H,18,19)
InChIKeyBDNFTKPFWDUWBY-UHFFFAOYSA-N
XLogP3.04
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid?
The IUPAC name of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid (CID 91521944) is 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid is COc1cc(CCC(=O)O)ccc1Oc1cccc(F)n1.
What is the InChIKey of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid?
The InChIKey is BDNFTKPFWDUWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-20-12-9-10(6-8-15(18)19)5-7-11(12)21-14-4-2-3-13(16)17-14/h2-5,7,9H,6,8H2,1H3,(H,18,19).
What are the key properties of 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid?
3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid has a molecular weight of 291.28 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-fluoro-2-pyridinyl)oxy]-3-methoxyphenyl]propanoic acid is sourced from PubChem (CID 91521944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).