1-pyridin-4-ylcyclohexane-1-carbonitrile

C12H14N2 — CID 22314789

IUPAC1-pyridin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1(c2ccncc2)CCCCC1
InChIInChI=1S/C12H14N2/c13-10-12(6-2-1-3-7-12)11-4-8-14-9-5-11/h4-5,8-9H,1-3,6-7H2
InChIKeyNJVILSGXISBONZ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.81
Rot. Bonds1

About 1-pyridin-4-ylcyclohexane-1-carbonitrile

1-pyridin-4-ylcyclohexane-1-carbonitrile (PubChem CID 22314789) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-pyridin-4-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-pyridin-4-ylcyclohexane-1-carbonitrile
PubChem CID22314789
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-pyridin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1(c2ccncc2)CCCCC1
InChIInChI=1S/C12H14N2/c13-10-12(6-2-1-3-7-12)11-4-8-14-9-5-11/h4-5,8-9H,1-3,6-7H2
InChIKeyNJVILSGXISBONZ-UHFFFAOYSA-N
XLogP2.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-pyridin-4-ylcyclohexane-1-carbonitrile (CID 22314789) is 1-pyridin-4-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-pyridin-4-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-pyridin-4-ylcyclohexane-1-carbonitrile is N#CC1(c2ccncc2)CCCCC1.
What is the InChIKey of 1-pyridin-4-ylcyclohexane-1-carbonitrile?
The InChIKey is NJVILSGXISBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-10-12(6-2-1-3-7-12)11-4-8-14-9-5-11/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 1-pyridin-4-ylcyclohexane-1-carbonitrile?
1-pyridin-4-ylcyclohexane-1-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 22314789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).