ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate

C11H14FNO3 — CID 83129208

IUPACethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)c1ccc(F)cn1
InChIInChI=1S/C11H14FNO3/c1-3-16-10(14)6-11(2,15)9-5-4-8(12)7-13-9/h4-5,7,15H,3,6H2,1-2H3
InChIKeyQCPDAPQSFZGHCY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.38
Rot. Bonds4

About ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate

ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate (PubChem CID 83129208) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate
PubChem CID83129208
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Nameethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)c1ccc(F)cn1
InChIInChI=1S/C11H14FNO3/c1-3-16-10(14)6-11(2,15)9-5-4-8(12)7-13-9/h4-5,7,15H,3,6H2,1-2H3
InChIKeyQCPDAPQSFZGHCY-UHFFFAOYSA-N
XLogP1.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate?
The IUPAC name of ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate (CID 83129208) is ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate is CCOC(=O)CC(C)(O)c1ccc(F)cn1.
What is the InChIKey of ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate?
The InChIKey is QCPDAPQSFZGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-3-16-10(14)6-11(2,15)9-5-4-8(12)7-13-9/h4-5,7,15H,3,6H2,1-2H3.
What are the key properties of ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate?
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate has a molecular weight of 227.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxybutanoate is sourced from PubChem (CID 83129208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).