2-pyridin-2-ylethyl cyanate

C8H8N2O — CID 21195134

IUPAC2-pyridin-2-ylethyl cyanate
SMILESN#COCCc1ccccn1
InChIInChI=1S/C8H8N2O/c9-7-11-6-4-8-3-1-2-5-10-8/h1-3,5H,4,6H2
InChIKeyTVCJNNCSNGQQQR-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.12
Rot. Bonds3

About 2-pyridin-2-ylethyl cyanate

2-pyridin-2-ylethyl cyanate (PubChem CID 21195134) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl cyanate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl cyanate
PubChem CID21195134
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-pyridin-2-ylethyl cyanate
SMILESN#COCCc1ccccn1
InChIInChI=1S/C8H8N2O/c9-7-11-6-4-8-3-1-2-5-10-8/h1-3,5H,4,6H2
InChIKeyTVCJNNCSNGQQQR-UHFFFAOYSA-N
XLogP1.12
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
CID 43174893
3-(2-pyridin-2-ylethoxy)pentanenitrile
CID 43175139
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
2-pyridin-2-ylethyl hydrogen sulfite
CID 57284965
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
CID 11833051
CID 11833051
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
2-pyridin-2-ylethoxymethanedithioate
CID 175683293

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl cyanate?
The IUPAC name of 2-pyridin-2-ylethyl cyanate (CID 21195134) is 2-pyridin-2-ylethyl cyanate.
What is the SMILES notation for 2-pyridin-2-ylethyl cyanate?
The canonical SMILES for 2-pyridin-2-ylethyl cyanate is N#COCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethyl cyanate?
The InChIKey is TVCJNNCSNGQQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-7-11-6-4-8-3-1-2-5-10-8/h1-3,5H,4,6H2.
What are the key properties of 2-pyridin-2-ylethyl cyanate?
2-pyridin-2-ylethyl cyanate has a molecular weight of 148.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl cyanate is sourced from PubChem (CID 21195134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).