ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate

C18H20FNO3 — CID 147072471

IUPACethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C18H20FNO3/c1-2-22-18(21)10-6-3-7-14-11-12-17(20-13-14)23-16-9-5-4-8-15(16)19/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3
InChIKeyBFHYHBBPOJRHBQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.29
Rot. Bonds8

About ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate

ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate (PubChem CID 147072471) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate
PubChem CID147072471
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Nameethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C18H20FNO3/c1-2-22-18(21)10-6-3-7-14-11-12-17(20-13-14)23-16-9-5-4-8-15(16)19/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3
InChIKeyBFHYHBBPOJRHBQ-UHFFFAOYSA-N
XLogP4.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711
ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate
CID 161119875
ethyl 6-[4-(2-aminoethyl)-2-fluorophenoxy]hexanoate
CID 107692722
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
ethyl 5-[5-(aminomethyl)pyrimidin-2-yl]pentanoate
CID 71743527
ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
CID 23148937
ethyl 6-(2-fluoro-5-methylphenoxy)hexanoate
CID 64855551
ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
CID 61012668

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate?
The IUPAC name of ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate (CID 147072471) is ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate.
What is the SMILES notation for ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate?
The canonical SMILES for ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate is CCOC(=O)CCCCc1ccc(Oc2ccccc2F)nc1.
What is the InChIKey of ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate?
The InChIKey is BFHYHBBPOJRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-2-22-18(21)10-6-3-7-14-11-12-17(20-13-14)23-16-9-5-4-8-15(16)19/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3.
What are the key properties of ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate?
ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate has a molecular weight of 317.36 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate is sourced from PubChem (CID 147072471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).