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

C15H14FN3O — CID 22012031

IUPAC3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESCc1c(C#N)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H14FN3O/c1-9-11(8-17)14-12(20)5-3-7-19(14)13(9)10-4-2-6-18-15(10)16/h2,4,6,12,20H,3,5,7H2,1H3
InChIKeyUXAXHSFGUNNGRA-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.70
Rot. Bonds1

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

3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (PubChem CID 22012031) has the molecular formula C15H14FN3O and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
PubChem CID22012031
Molecular FormulaC15H14FN3O
Molecular Weight271.29 g/mol
Exact Mass271.11
IUPAC Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESCc1c(C#N)c2n(c1-c1cccnc1F)CCCC2O
InChIInChI=1S/C15H14FN3O/c1-9-11(8-17)14-12(20)5-3-7-19(14)13(9)10-4-2-6-18-15(10)16/h2,4,6,12,20H,3,5,7H2,1H3
InChIKeyUXAXHSFGUNNGRA-UHFFFAOYSA-N
XLogP2.70
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (CID 22012031) is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is Cc1c(C#N)c2n(c1-c1cccnc1F)CCCC2O.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The InChIKey is UXAXHSFGUNNGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-11(8-17)14-12(20)5-3-7-19(14)13(9)10-4-2-6-18-15(10)16/h2,4,6,12,20H,3,5,7H2,1H3.
What are the key properties of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile has a molecular weight of 271.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is sourced from PubChem (CID 22012031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).