2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide

C15H15ClFN3O2 — CID 22012104

IUPAC2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCOC1CCCn2c(-c3cccnc3F)c(Cl)c(C(N)=O)c21
InChIInChI=1S/C15H15ClFN3O2/c1-22-9-5-3-7-20-12(8-4-2-6-19-14(8)17)11(16)10(13(9)20)15(18)21/h2,4,6,9H,3,5,7H2,1H3,(H2,18,21)
InChIKeyRWYFTBZVWLRARK-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide

2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 22012104) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound Name2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID22012104
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC Name2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCOC1CCCn2c(-c3cccnc3F)c(Cl)c(C(N)=O)c21
InChIInChI=1S/C15H15ClFN3O2/c1-22-9-5-3-7-20-12(8-4-2-6-19-14(8)17)11(16)10(13(9)20)15(18)21/h2,4,6,9H,3,5,7H2,1H3,(H2,18,21)
InChIKeyRWYFTBZVWLRARK-UHFFFAOYSA-N
XLogP2.92
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
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 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 22012104) is 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is COC1CCCn2c(-c3cccnc3F)c(Cl)c(C(N)=O)c21.
What is the InChIKey of 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is RWYFTBZVWLRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-22-9-5-3-7-20-12(8-4-2-6-19-14(8)17)11(16)10(13(9)20)15(18)21/h2,4,6,9H,3,5,7H2,1H3,(H2,18,21).
What are the key properties of 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide?
2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 323.76 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-fluoro-3-pyridinyl)-8-methoxy-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 22012104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).