5-(cyclohexylmethoxy)pyridine-2-carbonitrile

C13H16N2O — CID 115487982

IUPAC5-(cyclohexylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCC2CCCCC2)cn1
InChIInChI=1S/C13H16N2O/c14-8-12-6-7-13(9-15-12)16-10-11-4-2-1-3-5-11/h6-7,9,11H,1-5,10H2
InChIKeyYPDGGIPERGYLLI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds3

About 5-(cyclohexylmethoxy)pyridine-2-carbonitrile

5-(cyclohexylmethoxy)pyridine-2-carbonitrile (PubChem CID 115487982) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)pyridine-2-carbonitrile
PubChem CID115487982
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(cyclohexylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCC2CCCCC2)cn1
InChIInChI=1S/C13H16N2O/c14-8-12-6-7-13(9-15-12)16-10-11-4-2-1-3-5-11/h6-7,9,11H,1-5,10H2
InChIKeyYPDGGIPERGYLLI-UHFFFAOYSA-N
XLogP2.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
[5-(cyclohexylmethoxy)-2-pyridinyl]-dihydroxy-methyl-λ4-sulfane
CID 142599240
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
5-(cycloheptylmethoxy)pyridine-2-carbothioamide
CID 114248397
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
1-[5-(cyclohexylmethoxy)-2-pyridinyl]-N-methylethanamine
CID 83123383
5-[(Z)-2-cyclohexylethenyl]pyridine-2-carbonitrile
CID 58495654
5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile
CID 115487907
cyclohexylmethoxybenzene
CID 14399287
5-(cyclopropylmethoxy)-2-fluoropyridine
CID 10797160
1-[5-(cyclopentylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584937
5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
CID 103736388

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(cyclohexylmethoxy)pyridine-2-carbonitrile (CID 115487982) is 5-(cyclohexylmethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(cyclohexylmethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(cyclohexylmethoxy)pyridine-2-carbonitrile is N#Cc1ccc(OCC2CCCCC2)cn1.
What is the InChIKey of 5-(cyclohexylmethoxy)pyridine-2-carbonitrile?
The InChIKey is YPDGGIPERGYLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-12-6-7-13(9-15-12)16-10-11-4-2-1-3-5-11/h6-7,9,11H,1-5,10H2.
What are the key properties of 5-(cyclohexylmethoxy)pyridine-2-carbonitrile?
5-(cyclohexylmethoxy)pyridine-2-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 115487982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).