5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile

C15H12FN3O — CID 99837283

IUPAC5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CC(O)(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-11(2-4-12)15(20)9-19(10-15)14-6-5-13(7-17)18-8-14/h1-6,8,20H,9-10H2
InChIKeyRJIGRJPOLGMFLZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.80
Rot. Bonds2

About 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile

5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile (PubChem CID 99837283) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile
PubChem CID99837283
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CC(O)(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C15H12FN3O/c16-12-3-1-11(2-4-12)15(20)9-19(10-15)14-6-5-13(7-17)18-8-14/h1-6,8,20H,9-10H2
InChIKeyRJIGRJPOLGMFLZ-UHFFFAOYSA-N
XLogP1.80
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile (CID 99837283) is 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CC(O)(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RJIGRJPOLGMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-3-1-11(2-4-12)15(20)9-19(10-15)14-6-5-13(7-17)18-8-14/h1-6,8,20H,9-10H2.
What are the key properties of 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile?
5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 269.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 99837283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).