2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde

C15H15FN2O — CID 57197679

IUPAC2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde
SMILESO=CCc1c(F)c(-c2cccnc2)n2c1CCCC2
InChIInChI=1S/C15H15FN2O/c16-14-12(6-9-19)13-5-1-2-8-18(13)15(14)11-4-3-7-17-10-11/h3-4,7,9-10H,1-2,5-6,8H2
InChIKeyBHMZXYBBEGSLNC-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde

2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde (PubChem CID 57197679) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde
PubChem CID57197679
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde
SMILESO=CCc1c(F)c(-c2cccnc2)n2c1CCCC2
InChIInChI=1S/C15H15FN2O/c16-14-12(6-9-19)13-5-1-2-8-18(13)15(14)11-4-3-7-17-10-11/h3-4,7,9-10H,1-2,5-6,8H2
InChIKeyBHMZXYBBEGSLNC-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde (CID 57197679) is 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde is O=CCc1c(F)c(-c2cccnc2)n2c1CCCC2.
What is the InChIKey of 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde?
The InChIKey is BHMZXYBBEGSLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-12(6-9-19)13-5-1-2-8-18(13)15(14)11-4-3-7-17-10-11/h3-4,7,9-10H,1-2,5-6,8H2.
What are the key properties of 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde?
2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde has a molecular weight of 258.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde is sourced from PubChem (CID 57197679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).