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

C16H16BrNO4 — CID 21162883

IUPACethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H16BrNO4/c1-3-20-16(19)11(2)21-13-5-7-14(8-6-13)22-15-9-4-12(17)10-18-15/h4-11H,3H2,1-2H3
InChIKeyCHFVZPZXPOLIIS-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.97
Rot. Bonds6

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

ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 21162883) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID21162883
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC Nameethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H16BrNO4/c1-3-20-16(19)11(2)21-13-5-7-14(8-6-13)22-15-9-4-12(17)10-18-15/h4-11H,3H2,1-2H3
InChIKeyCHFVZPZXPOLIIS-UHFFFAOYSA-N
XLogP3.97
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
ethyl 2-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate
CID 15582785
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
diethoxyphosphorylmethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 13325076
CID 59993707
CID 59993707
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
4-[(5-bromo-2-pyridinyl)oxy]phenol
CID 12940619
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
[4-[(5-bromo-2-pyridinyl)oxy]phenyl]methanol
CID 61373994

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate (CID 21162883) is ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(Oc2ccc(Br)cn2)cc1.
What is the InChIKey of ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is CHFVZPZXPOLIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-3-20-16(19)11(2)21-13-5-7-14(8-6-13)22-15-9-4-12(17)10-18-15/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate?
ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 366.21 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 21162883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).