2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid

C14H11BrFNO4 — CID 15592839

IUPAC2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncc(Br)cc2F)cc1)C(=O)O
InChIInChI=1S/C14H11BrFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)
InChIKeyJADOBTDMEBQAKN-UHFFFAOYSA-N
MW356.15 g/mol
LogP3.63
Rot. Bonds5

About 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid

2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid (PubChem CID 15592839) has the molecular formula C14H11BrFNO4 and a molecular weight of 356.15 g/mol. Its IUPAC name is 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
PubChem CID15592839
Molecular FormulaC14H11BrFNO4
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncc(Br)cc2F)cc1)C(=O)O
InChIInChI=1S/C14H11BrFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)
InChIKeyJADOBTDMEBQAKN-UHFFFAOYSA-N
XLogP3.63
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
CID 67929203
CID 67929203
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
ethynyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 139247839
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
2-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenoxy]propanoyl chloride
CID 139638456
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
CID 155669175
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid (CID 15592839) is 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid is CC(Oc1ccc(Oc2ncc(Br)cc2F)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The InChIKey is JADOBTDMEBQAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19).
What are the key properties of 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid?
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid has a molecular weight of 356.15 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid is sourced from PubChem (CID 15592839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).