1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone

C16H15FN2O2 — CID 22012113

IUPAC1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone
SMILESCOc1c(C(C)=O)c2n(c1-c1cccnc1F)CCC=C2
InChIInChI=1S/C16H15FN2O2/c1-10(20)13-12-7-3-4-9-19(12)14(15(13)21-2)11-6-5-8-18-16(11)17/h3,5-8H,4,9H2,1-2H3
InChIKeyNZXWCHDLWMEEJS-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.32
Rot. Bonds3

About 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone

1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone (PubChem CID 22012113) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone
PubChem CID22012113
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone
SMILESCOc1c(C(C)=O)c2n(c1-c1cccnc1F)CCC=C2
InChIInChI=1S/C16H15FN2O2/c1-10(20)13-12-7-3-4-9-19(12)14(15(13)21-2)11-6-5-8-18-16(11)17/h3,5-8H,4,9H2,1-2H3
InChIKeyNZXWCHDLWMEEJS-UHFFFAOYSA-N
XLogP3.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone (CID 22012113) is 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone is COc1c(C(C)=O)c2n(c1-c1cccnc1F)CCC=C2.
What is the InChIKey of 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone?
The InChIKey is NZXWCHDLWMEEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10(20)13-12-7-3-4-9-19(12)14(15(13)21-2)11-6-5-8-18-16(11)17/h3,5-8H,4,9H2,1-2H3.
What are the key properties of 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone?
1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone has a molecular weight of 286.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-3-pyridinyl)-2-methoxy-5,6-dihydroindolizin-1-yl]ethanone is sourced from PubChem (CID 22012113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).