5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile

C11H14N2O2 — CID 79794446

IUPAC5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
SMILESN#CCCCCOc1ccc(CO)nc1
InChIInChI=1S/C11H14N2O2/c12-6-2-1-3-7-15-11-5-4-10(9-14)13-8-11/h4-5,8,14H,1-3,7,9H2
InChIKeyOLVYHELFFISVOM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.65
Rot. Bonds6

About 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile

5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile (PubChem CID 79794446) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile.

Molecular Properties

Compound Name5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
PubChem CID79794446
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
SMILESN#CCCCCOc1ccc(CO)nc1
InChIInChI=1S/C11H14N2O2/c12-6-2-1-3-7-15-11-5-4-10(9-14)13-8-11/h4-5,8,14H,1-3,7,9H2
InChIKeyOLVYHELFFISVOM-UHFFFAOYSA-N
XLogP1.65
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile 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-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-Hydroxy-2-hydroxymethylpyridine
CID 419490
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
5-[[(2S)-azetidin-2-yl]methoxy]-2-methylpyridine
CID 18391693
5-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine
CID 21345253
3-Phenoxypyridine
CID 200510
2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10560219
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
5-[[(2S)-azetidin-2-yl]methoxy]-2-ethenylpyridine
CID 22961867
4-(Pyridin-2-ylmethoxy)phenol
CID 43143359
2-Methyl-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyridine
CID 44318904
[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-2-yl]-methanol
CID 44319235

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile?
The IUPAC name of 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile (CID 79794446) is 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile.
What is the SMILES notation for 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile?
The canonical SMILES for 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile is N#CCCCCOc1ccc(CO)nc1.
What is the InChIKey of 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile?
The InChIKey is OLVYHELFFISVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-6-2-1-3-7-15-11-5-4-10(9-14)13-8-11/h4-5,8,14H,1-3,7,9H2.
What are the key properties of 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile?
5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile has a molecular weight of 206.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile is sourced from PubChem (CID 79794446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).