1-(3-pyridin-4-ylindolizin-2-yl)ethanol

C15H14N2O — CID 118573391

IUPAC1-(3-pyridin-4-ylindolizin-2-yl)ethanol
SMILESCC(O)c1cc2ccccn2c1-c1ccncc1
InChIInChI=1S/C15H14N2O/c1-11(18)14-10-13-4-2-3-9-17(13)15(14)12-5-7-16-8-6-12/h2-11,18H,1H3
InChIKeyRPRQLPKGIPONHT-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.05
Rot. Bonds2

About 1-(3-pyridin-4-ylindolizin-2-yl)ethanol

1-(3-pyridin-4-ylindolizin-2-yl)ethanol (PubChem CID 118573391) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3-pyridin-4-ylindolizin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-pyridin-4-ylindolizin-2-yl)ethanol
PubChem CID118573391
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(3-pyridin-4-ylindolizin-2-yl)ethanol
SMILESCC(O)c1cc2ccccn2c1-c1ccncc1
InChIInChI=1S/C15H14N2O/c1-11(18)14-10-13-4-2-3-9-17(13)15(14)12-5-7-16-8-6-12/h2-11,18H,1H3
InChIKeyRPRQLPKGIPONHT-UHFFFAOYSA-N
XLogP3.05
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-ylindolizin-2-yl)ethanol?
The IUPAC name of 1-(3-pyridin-4-ylindolizin-2-yl)ethanol (CID 118573391) is 1-(3-pyridin-4-ylindolizin-2-yl)ethanol.
What is the SMILES notation for 1-(3-pyridin-4-ylindolizin-2-yl)ethanol?
The canonical SMILES for 1-(3-pyridin-4-ylindolizin-2-yl)ethanol is CC(O)c1cc2ccccn2c1-c1ccncc1.
What is the InChIKey of 1-(3-pyridin-4-ylindolizin-2-yl)ethanol?
The InChIKey is RPRQLPKGIPONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11(18)14-10-13-4-2-3-9-17(13)15(14)12-5-7-16-8-6-12/h2-11,18H,1H3.
What are the key properties of 1-(3-pyridin-4-ylindolizin-2-yl)ethanol?
1-(3-pyridin-4-ylindolizin-2-yl)ethanol has a molecular weight of 238.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-ylindolizin-2-yl)ethanol is sourced from PubChem (CID 118573391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).