2-cyclohexyloxypyridine-3-carbonitrile

C12H14N2O — CID 24703886

IUPAC2-cyclohexyloxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCCCC1
InChIInChI=1S/C12H14N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2
InChIKeyVVMPGKGYTJRBCO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.66
Rot. Bonds2

About 2-cyclohexyloxypyridine-3-carbonitrile

2-cyclohexyloxypyridine-3-carbonitrile (PubChem CID 24703886) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-cyclohexyloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-cyclohexyloxypyridine-3-carbonitrile
PubChem CID24703886
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-cyclohexyloxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCCCC1
InChIInChI=1S/C12H14N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2
InChIKeyVVMPGKGYTJRBCO-UHFFFAOYSA-N
XLogP2.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxypyridine-3-carbonitrile?
The IUPAC name of 2-cyclohexyloxypyridine-3-carbonitrile (CID 24703886) is 2-cyclohexyloxypyridine-3-carbonitrile.
What is the SMILES notation for 2-cyclohexyloxypyridine-3-carbonitrile?
The canonical SMILES for 2-cyclohexyloxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxypyridine-3-carbonitrile?
The InChIKey is VVMPGKGYTJRBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7H2.
What are the key properties of 2-cyclohexyloxypyridine-3-carbonitrile?
2-cyclohexyloxypyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxypyridine-3-carbonitrile is sourced from PubChem (CID 24703886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).