2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile

C9H9N3O — CID 63282526

IUPAC2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC(O)C2)c1
InChIInChI=1S/C9H9N3O/c10-4-7-1-2-11-9(3-7)12-5-8(13)6-12/h1-3,8,13H,5-6H2
InChIKeyLTHOTTCJGDQVEF-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.13
Rot. Bonds1

About 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile

2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile (PubChem CID 63282526) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
PubChem CID63282526
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC(O)C2)c1
InChIInChI=1S/C9H9N3O/c10-4-7-1-2-11-9(3-7)12-5-8(13)6-12/h1-3,8,13H,5-6H2
InChIKeyLTHOTTCJGDQVEF-UHFFFAOYSA-N
XLogP0.13
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
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2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568
1-(4-cyano-2-pyridinyl)-4-methylpiperidine-2-carboxylic acid
CID 114422351
2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
CID 151111745
2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile
CID 134430086
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338
2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile
CID 56870834

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile (CID 63282526) is 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CC(O)C2)c1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is LTHOTTCJGDQVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-4-7-1-2-11-9(3-7)12-5-8(13)6-12/h1-3,8,13H,5-6H2.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile?
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 63282526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).