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

C14H11BrClNO4 — CID 19704700

IUPAC2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncc(Br)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C14H11BrClNO4/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)
InChIKeyTUMGDOLMWJRTDV-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.14
Rot. Bonds5

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

2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid (PubChem CID 19704700) has the molecular formula C14H11BrClNO4 and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
PubChem CID19704700
Molecular FormulaC14H11BrClNO4
Molecular Weight372.60 g/mol
Exact Mass370.96
IUPAC Name2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2ncc(Br)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C14H11BrClNO4/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)
InChIKeyTUMGDOLMWJRTDV-UHFFFAOYSA-N
XLogP4.14
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
CID 138684246
CID 67929203
CID 67929203
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
5-bromo-3-chloro-2-(4-iodophenoxy)pyridine
CID 103582296
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 57099582

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid (CID 19704700) is 2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid is CC(Oc1ccc(Oc2ncc(Br)cc2Cl)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The InChIKey is TUMGDOLMWJRTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO4/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-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid has a molecular weight of 372.60 g/mol, XLogP of 4.14, 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-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid is sourced from PubChem (CID 19704700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).