6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile

C13H14N2 — CID 90890322

IUPAC6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile
SMILESC=C1CCC(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H14N2/c1-10-2-5-12(6-3-10)13-7-4-11(8-14)9-15-13/h4,7,9,12H,1-3,5-6H2
InChIKeyGWYUPXLWXXYHDK-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.17
Rot. Bonds1

About 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile

6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile (PubChem CID 90890322) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile
PubChem CID90890322
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile
SMILESC=C1CCC(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H14N2/c1-10-2-5-12(6-3-10)13-7-4-11(8-14)9-15-13/h4,7,9,12H,1-3,5-6H2
InChIKeyGWYUPXLWXXYHDK-UHFFFAOYSA-N
XLogP3.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile (CID 90890322) is 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile is C=C1CCC(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile?
The InChIKey is GWYUPXLWXXYHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-2-5-12(6-3-10)13-7-4-11(8-14)9-15-13/h4,7,9,12H,1-3,5-6H2.
What are the key properties of 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile?
6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile has a molecular weight of 198.27 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile is sourced from PubChem (CID 90890322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).