5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile

C14H18N2O — CID 58495682

IUPAC5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile
SMILESCC1(C)CCCC(Oc2ccc(C#N)nc2)C1
InChIInChI=1S/C14H18N2O/c1-14(2)7-3-4-12(8-14)17-13-6-5-11(9-15)16-10-13/h5-6,10,12H,3-4,7-8H2,1-2H3
InChIKeyRJZNIXJJAZKWQF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.30
Rot. Bonds2

About 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile

5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile (PubChem CID 58495682) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile
PubChem CID58495682
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile
SMILESCC1(C)CCCC(Oc2ccc(C#N)nc2)C1
InChIInChI=1S/C14H18N2O/c1-14(2)7-3-4-12(8-14)17-13-6-5-11(9-15)16-10-13/h5-6,10,12H,3-4,7-8H2,1-2H3
InChIKeyRJZNIXJJAZKWQF-UHFFFAOYSA-N
XLogP3.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile?
The IUPAC name of 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile (CID 58495682) is 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile?
The canonical SMILES for 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile is CC1(C)CCCC(Oc2ccc(C#N)nc2)C1.
What is the InChIKey of 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile?
The InChIKey is RJZNIXJJAZKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2)7-3-4-12(8-14)17-13-6-5-11(9-15)16-10-13/h5-6,10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile?
5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 58495682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).