[2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate

C11H11ClFNO4 — CID 166759567

IUPAC[2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1c(COC(C)=O)ncc(F)c1Cl
InChIInChI=1S/C11H11ClFNO4/c1-3-9(16)18-11-8(5-17-6(2)15)14-4-7(13)10(11)12/h4H,3,5H2,1-2H3
InChIKeyFTVBTGZXJXGHOV-UHFFFAOYSA-N
MW275.66 g/mol
LogP2.25
Rot. Bonds4

About [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate

[2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate (PubChem CID 166759567) has the molecular formula C11H11ClFNO4 and a molecular weight of 275.66 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate
PubChem CID166759567
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name[2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1c(COC(C)=O)ncc(F)c1Cl
InChIInChI=1S/C11H11ClFNO4/c1-3-9(16)18-11-8(5-17-6(2)15)14-4-7(13)10(11)12/h4H,3,5H2,1-2H3
InChIKeyFTVBTGZXJXGHOV-UHFFFAOYSA-N
XLogP2.25
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate?
The IUPAC name of [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate (CID 166759567) is [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate.
What is the SMILES notation for [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate?
The canonical SMILES for [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate is CCC(=O)Oc1c(COC(C)=O)ncc(F)c1Cl.
What is the InChIKey of [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate?
The InChIKey is FTVBTGZXJXGHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c1-3-9(16)18-11-8(5-17-6(2)15)14-4-7(13)10(11)12/h4H,3,5H2,1-2H3.
What are the key properties of [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate?
[2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate has a molecular weight of 275.66 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate is sourced from PubChem (CID 166759567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).