3-(cycloheptylmethoxy)pyridine-2-carbonitrile

C14H18N2O — CID 114083871

IUPAC3-(cycloheptylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1OCC1CCCCCC1
InChIInChI=1S/C14H18N2O/c15-10-13-14(8-5-9-16-13)17-11-12-6-3-1-2-4-7-12/h5,8-9,12H,1-4,6-7,11H2
InChIKeyLTDUDSARFKRAKQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.30
Rot. Bonds3

About 3-(cycloheptylmethoxy)pyridine-2-carbonitrile

3-(cycloheptylmethoxy)pyridine-2-carbonitrile (PubChem CID 114083871) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(cycloheptylmethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(cycloheptylmethoxy)pyridine-2-carbonitrile
PubChem CID114083871
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(cycloheptylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1OCC1CCCCCC1
InChIInChI=1S/C14H18N2O/c15-10-13-14(8-5-9-16-13)17-11-12-6-3-1-2-4-7-12/h5,8-9,12H,1-4,6-7,11H2
InChIKeyLTDUDSARFKRAKQ-UHFFFAOYSA-N
XLogP3.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-(cycloheptylmethoxy)pyridine-2-carbonitrile (CID 114083871) is 3-(cycloheptylmethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(cycloheptylmethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-(cycloheptylmethoxy)pyridine-2-carbonitrile is N#Cc1ncccc1OCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethoxy)pyridine-2-carbonitrile?
The InChIKey is LTDUDSARFKRAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-10-13-14(8-5-9-16-13)17-11-12-6-3-1-2-4-7-12/h5,8-9,12H,1-4,6-7,11H2.
What are the key properties of 3-(cycloheptylmethoxy)pyridine-2-carbonitrile?
3-(cycloheptylmethoxy)pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 114083871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).