1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone

C15H14ClFN2O2 — CID 22012063

IUPAC1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone
SMILESCC(=O)c1c(Cl)c(-c2cccnc2F)n2c1C(O)CCC2
InChIInChI=1S/C15H14ClFN2O2/c1-8(20)11-12(16)13(9-4-2-6-18-15(9)17)19-7-3-5-10(21)14(11)19/h2,4,6,10,21H,3,5,7H2,1H3
InChIKeyCSKXIKKABTXSDS-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.37
Rot. Bonds2

About 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone

1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone (PubChem CID 22012063) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone
PubChem CID22012063
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone
SMILESCC(=O)c1c(Cl)c(-c2cccnc2F)n2c1C(O)CCC2
InChIInChI=1S/C15H14ClFN2O2/c1-8(20)11-12(16)13(9-4-2-6-18-15(9)17)19-7-3-5-10(21)14(11)19/h2,4,6,10,21H,3,5,7H2,1H3
InChIKeyCSKXIKKABTXSDS-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
The IUPAC name of 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone (CID 22012063) is 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone.
What is the SMILES notation for 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
The canonical SMILES for 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone is CC(=O)c1c(Cl)c(-c2cccnc2F)n2c1C(O)CCC2.
What is the InChIKey of 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
The InChIKey is CSKXIKKABTXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-8(20)11-12(16)13(9-4-2-6-18-15(9)17)19-7-3-5-10(21)14(11)19/h2,4,6,10,21H,3,5,7H2,1H3.
What are the key properties of 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone has a molecular weight of 308.74 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizin-1-yl]ethanone is sourced from PubChem (CID 22012063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).