8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one

C18H13N3O — CID 149219578

IUPAC8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one
SMILESO=C1C=C(c2cccnc2)N2C=CC=CC12c1ccccn1
InChIInChI=1S/C18H13N3O/c22-17-12-15(14-6-5-9-19-13-14)21-11-4-2-8-18(17,21)16-7-1-3-10-20-16/h1-13H
InChIKeyXIEIEXYXYIASJU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.68
Rot. Bonds2

About 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one

8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one (PubChem CID 149219578) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one.

Molecular Properties

Compound Name8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one
PubChem CID149219578
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one
SMILESO=C1C=C(c2cccnc2)N2C=CC=CC12c1ccccn1
InChIInChI=1S/C18H13N3O/c22-17-12-15(14-6-5-9-19-13-14)21-11-4-2-8-18(17,21)16-7-1-3-10-20-16/h1-13H
InChIKeyXIEIEXYXYIASJU-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one?
The IUPAC name of 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one (CID 149219578) is 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one.
What is the SMILES notation for 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one?
The canonical SMILES for 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one is O=C1C=C(c2cccnc2)N2C=CC=CC12c1ccccn1.
What is the InChIKey of 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one?
The InChIKey is XIEIEXYXYIASJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-17-12-15(14-6-5-9-19-13-14)21-11-4-2-8-18(17,21)16-7-1-3-10-20-16/h1-13H.
What are the key properties of 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one?
8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one has a molecular weight of 287.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-pyridin-2-yl-3-pyridin-3-ylindolizin-1-one is sourced from PubChem (CID 149219578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).