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

C14H11FN4O — CID 133487424

IUPAC3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H11FN4O/c15-11-3-1-10(2-4-11)14(20)8-19(9-14)13-12(7-16)17-5-6-18-13/h1-6,20H,8-9H2
InChIKeyAQEQURKELYGKFE-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.20
Rot. Bonds2

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

3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133487424) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133487424
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C14H11FN4O/c15-11-3-1-10(2-4-11)14(20)8-19(9-14)13-12(7-16)17-5-6-18-13/h1-6,20H,8-9H2
InChIKeyAQEQURKELYGKFE-UHFFFAOYSA-N
XLogP1.20
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol
CID 133487482
5-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyridine-2-carbonitrile
CID 99837283
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284896
3-(4-fluorophenyl)-1-(7H-purin-6-yl)azetidin-3-ol
CID 99837279
3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 115871352
3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284357
3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133497718
3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
CID 100592511
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 171335787
3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62672376
3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
CID 126993543
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile (CID 133487424) is 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is AQEQURKELYGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-3-1-10(2-4-11)14(20)8-19(9-14)13-12(7-16)17-5-6-18-13/h1-6,20H,8-9H2.
What are the key properties of 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile?
3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 270.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133487424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).