ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate

C16H15BrClNO4 — CID 57099582

IUPACethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(Oc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO4/c1-2-21-15(20)7-8-22-12-3-5-13(6-4-12)23-16-14(18)9-11(17)10-19-16/h3-6,9-10H,2,7-8H2,1H3
InChIKeyINVYBDBIOBUEHS-UHFFFAOYSA-N
MW400.66 g/mol
LogP4.62
Rot. Bonds7

About ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate

ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 57099582) has the molecular formula C16H15BrClNO4 and a molecular weight of 400.66 g/mol. Its IUPAC name is ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID57099582
Molecular FormulaC16H15BrClNO4
Molecular Weight400.66 g/mol
Exact Mass398.99
IUPAC Nameethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(Oc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO4/c1-2-21-15(20)7-8-22-12-3-5-13(6-4-12)23-16-14(18)9-11(17)10-19-16/h3-6,9-10H,2,7-8H2,1H3
InChIKeyINVYBDBIOBUEHS-UHFFFAOYSA-N
XLogP4.62
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.66
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate with MolForge

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Related Compounds

ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 57232217
5-bromo-3-chloro-2-(4-iodophenoxy)pyridine
CID 103582296
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
CID 103583574
methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate
CID 19995298

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 57099582) is ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate is CCOC(=O)CCOc1ccc(Oc2ncc(Br)cc2Cl)cc1.
What is the InChIKey of ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is INVYBDBIOBUEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO4/c1-2-21-15(20)7-8-22-12-3-5-13(6-4-12)23-16-14(18)9-11(17)10-19-16/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate?
ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 400.66 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 57099582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).