2-cycloheptyloxypyridine-4-carbonitrile

C13H16N2O — CID 61071944

IUPAC2-cycloheptyloxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CCCCCC2)c1
InChIInChI=1S/C13H16N2O/c14-10-11-7-8-15-13(9-11)16-12-5-3-1-2-4-6-12/h7-9,12H,1-6H2
InChIKeyUUUYCRCUBRJPFE-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds2

About 2-cycloheptyloxypyridine-4-carbonitrile

2-cycloheptyloxypyridine-4-carbonitrile (PubChem CID 61071944) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cycloheptyloxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-cycloheptyloxypyridine-4-carbonitrile
PubChem CID61071944
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cycloheptyloxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CCCCCC2)c1
InChIInChI=1S/C13H16N2O/c14-10-11-7-8-15-13(9-11)16-12-5-3-1-2-4-6-12/h7-9,12H,1-6H2
InChIKeyUUUYCRCUBRJPFE-UHFFFAOYSA-N
XLogP3.05
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyloxypyridine-4-carbonitrile
CID 62140074
2-(2-methylcyclohexyl)oxypyridine-4-carbonitrile
CID 43184942
2-cyclohexyloxy-4-iodopyridine
CID 89498049
2-cyclopentyloxy-4-methylpyridine
CID 18779821
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
2-cyclohexyloxypyridine-4-carbaldehyde
CID 88984820
2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
CID 122252600
2-cyclopentyloxy-6-methylpyridine-4-carbonitrile
CID 114766754
2-(2-cyclohexyloxyethylamino)pyridine-4-carbonitrile
CID 63826491
N-(3-cyanophenyl)-2-cyclobutyloxy-N-methylpyridine-4-carboxamide
CID 75433974
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxypyridine-4-carbonitrile?
The IUPAC name of 2-cycloheptyloxypyridine-4-carbonitrile (CID 61071944) is 2-cycloheptyloxypyridine-4-carbonitrile.
What is the SMILES notation for 2-cycloheptyloxypyridine-4-carbonitrile?
The canonical SMILES for 2-cycloheptyloxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptyloxypyridine-4-carbonitrile?
The InChIKey is UUUYCRCUBRJPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-10-11-7-8-15-13(9-11)16-12-5-3-1-2-4-6-12/h7-9,12H,1-6H2.
What are the key properties of 2-cycloheptyloxypyridine-4-carbonitrile?
2-cycloheptyloxypyridine-4-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxypyridine-4-carbonitrile is sourced from PubChem (CID 61071944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).