6-octan-2-yloxypyridine-3-carbonitrile

C14H20N2O — CID 43128061

IUPAC6-octan-2-yloxypyridine-3-carbonitrile
SMILESCCCCCCC(C)Oc1ccc(C#N)cn1
InChIInChI=1S/C14H20N2O/c1-3-4-5-6-7-12(2)17-14-9-8-13(10-15)11-16-14/h8-9,11-12H,3-7H2,1-2H3
InChIKeySNKOELYUTNKOCN-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.69
Rot. Bonds7

About 6-octan-2-yloxypyridine-3-carbonitrile

6-octan-2-yloxypyridine-3-carbonitrile (PubChem CID 43128061) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-octan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-octan-2-yloxypyridine-3-carbonitrile
PubChem CID43128061
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-octan-2-yloxypyridine-3-carbonitrile
SMILESCCCCCCC(C)Oc1ccc(C#N)cn1
InChIInChI=1S/C14H20N2O/c1-3-4-5-6-7-12(2)17-14-9-8-13(10-15)11-16-14/h8-9,11-12H,3-7H2,1-2H3
InChIKeySNKOELYUTNKOCN-UHFFFAOYSA-N
XLogP3.69
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-chloroethoxy)pyridine-3-carbonitrile
CID 143861415
6-(2-hydroxy-3-octadecoxypropoxy)pyridine-3-carbonitrile
CID 167021955
(4-decoxyphenyl) 6-[(2S)-octan-2-yl]oxypyridine-3-carboxylate
CID 22845778
6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
CID 126955007
(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154
2-(4-dodecoxyphenyl)-5-[(2S)-octan-2-yl]oxypyrazine
CID 14365796
octan-2-yl 4-cyanobenzoate
CID 582576
6-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 3129237
4-[4-(4-heptan-2-yloxyphenyl)cyclohexyl]benzonitrile
CID 21318420
2-ethoxy-6-octan-2-yloxypyridin-3-amine
CID 43262496
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
4-dodecan-6-ylbenzonitrile
CID 143747223

Frequently Asked Questions

What is the IUPAC name of 6-octan-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 6-octan-2-yloxypyridine-3-carbonitrile (CID 43128061) is 6-octan-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 6-octan-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 6-octan-2-yloxypyridine-3-carbonitrile is CCCCCCC(C)Oc1ccc(C#N)cn1.
What is the InChIKey of 6-octan-2-yloxypyridine-3-carbonitrile?
The InChIKey is SNKOELYUTNKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-5-6-7-12(2)17-14-9-8-13(10-15)11-16-14/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 6-octan-2-yloxypyridine-3-carbonitrile?
6-octan-2-yloxypyridine-3-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 43128061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).