3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile

C15H11FN4O — CID 22012045

IUPAC3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile
SMILESN#Cc1c(C#N)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H11FN4O/c16-15-9(3-1-5-19-15)13-10(7-17)11(8-18)14-12(21)4-2-6-20(13)14/h1,3,5,12,21H,2,4,6H2
InChIKeyDLFNFESSLJYHHA-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.26
Rot. Bonds1

About 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile

3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile (PubChem CID 22012045) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile
PubChem CID22012045
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile
SMILESN#Cc1c(C#N)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H11FN4O/c16-15-9(3-1-5-19-15)13-10(7-17)11(8-18)14-12(21)4-2-6-20(13)14/h1,3,5,12,21H,2,4,6H2
InChIKeyDLFNFESSLJYHHA-UHFFFAOYSA-N
XLogP2.26
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile (CID 22012045) is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile is N#Cc1c(C#N)c2n(c1-c1cccnc1F)CCCC2O.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile?
The InChIKey is DLFNFESSLJYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-15-9(3-1-5-19-15)13-10(7-17)11(8-18)14-12(21)4-2-6-20(13)14/h1,3,5,12,21H,2,4,6H2.
What are the key properties of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile?
3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile has a molecular weight of 282.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1,2-dicarbonitrile is sourced from PubChem (CID 22012045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).