2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one

C20H15ClN2O — CID 46703282

IUPAC2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one
SMILESCC12C=CC=CN1C(c1ccccc1)=C(c1ccnc(Cl)c1)C2=O
InChIInChI=1S/C20H15ClN2O/c1-20-10-5-6-12-23(20)18(14-7-3-2-4-8-14)17(19(20)24)15-9-11-22-16(21)13-15/h2-13H,1H3
InChIKeyLFJFZRNCCDAFOR-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.33
Rot. Bonds2

About 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one

2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one (PubChem CID 46703282) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one
PubChem CID46703282
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one
SMILESCC12C=CC=CN1C(c1ccccc1)=C(c1ccnc(Cl)c1)C2=O
InChIInChI=1S/C20H15ClN2O/c1-20-10-5-6-12-23(20)18(14-7-3-2-4-8-14)17(19(20)24)15-9-11-22-16(21)13-15/h2-13H,1H3
InChIKeyLFJFZRNCCDAFOR-UHFFFAOYSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one (CID 46703282) is 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one is CC12C=CC=CN1C(c1ccccc1)=C(c1ccnc(Cl)c1)C2=O.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one?
The InChIKey is LFJFZRNCCDAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-20-10-5-6-12-23(20)18(14-7-3-2-4-8-14)17(19(20)24)15-9-11-22-16(21)13-15/h2-13H,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one?
2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one has a molecular weight of 334.81 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-8a-methyl-3-phenylindolizin-1-one is sourced from PubChem (CID 46703282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).