4-cyclopentyloxypyridine-2-carbonitrile

C11H12N2O — CID 62936068

IUPAC4-cyclopentyloxypyridine-2-carbonitrile
SMILESN#Cc1cc(OC2CCCC2)ccn1
InChIInChI=1S/C11H12N2O/c12-8-9-7-11(5-6-13-9)14-10-3-1-2-4-10/h5-7,10H,1-4H2
InChIKeyJMFBULRDVMNIIA-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.27
Rot. Bonds2

About 4-cyclopentyloxypyridine-2-carbonitrile

4-cyclopentyloxypyridine-2-carbonitrile (PubChem CID 62936068) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-cyclopentyloxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-cyclopentyloxypyridine-2-carbonitrile
PubChem CID62936068
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-cyclopentyloxypyridine-2-carbonitrile
SMILESN#Cc1cc(OC2CCCC2)ccn1
InChIInChI=1S/C11H12N2O/c12-8-9-7-11(5-6-13-9)14-10-3-1-2-4-10/h5-7,10H,1-4H2
InChIKeyJMFBULRDVMNIIA-UHFFFAOYSA-N
XLogP2.27
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxypyridine-2-carbonitrile?
The IUPAC name of 4-cyclopentyloxypyridine-2-carbonitrile (CID 62936068) is 4-cyclopentyloxypyridine-2-carbonitrile.
What is the SMILES notation for 4-cyclopentyloxypyridine-2-carbonitrile?
The canonical SMILES for 4-cyclopentyloxypyridine-2-carbonitrile is N#Cc1cc(OC2CCCC2)ccn1.
What is the InChIKey of 4-cyclopentyloxypyridine-2-carbonitrile?
The InChIKey is JMFBULRDVMNIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-8-9-7-11(5-6-13-9)14-10-3-1-2-4-10/h5-7,10H,1-4H2.
What are the key properties of 4-cyclopentyloxypyridine-2-carbonitrile?
4-cyclopentyloxypyridine-2-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxypyridine-2-carbonitrile is sourced from PubChem (CID 62936068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).