8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

C15H12F3N3O — CID 22012093

IUPAC8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)12-10(7-19)14-11(22)4-2-6-21(14)13(12)9-3-1-5-20-8-9/h1,3,5,8,11,22H,2,4,6H2
InChIKeyGQHYZAIEUSTXJN-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.27
Rot. Bonds1

About 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile (PubChem CID 22012093) has the molecular formula C15H12F3N3O and a molecular weight of 307.27 g/mol. Its IUPAC name is 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile.

Molecular Properties

Compound Name8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
PubChem CID22012093
Molecular FormulaC15H12F3N3O
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC Name8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)12-10(7-19)14-11(22)4-2-6-21(14)13(12)9-3-1-5-20-8-9/h1,3,5,8,11,22H,2,4,6H2
InChIKeyGQHYZAIEUSTXJN-UHFFFAOYSA-N
XLogP3.27
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The IUPAC name of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile (CID 22012093) is 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile.
What is the SMILES notation for 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The canonical SMILES for 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile is N#Cc1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2.
What is the InChIKey of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The InChIKey is GQHYZAIEUSTXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)12-10(7-19)14-11(22)4-2-6-21(14)13(12)9-3-1-5-20-8-9/h1,3,5,8,11,22H,2,4,6H2.
What are the key properties of 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile has a molecular weight of 307.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile is sourced from PubChem (CID 22012093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).