2-pyridin-3-ylcyclohexane-1-carbonitrile

C12H14N2 — CID 82241004

IUPAC2-pyridin-3-ylcyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1c1cccnc1
InChIInChI=1S/C12H14N2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h3,5,7,9-10,12H,1-2,4,6H2
InChIKeyDMGRHJXOOGEBQS-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.88
Rot. Bonds1

About 2-pyridin-3-ylcyclohexane-1-carbonitrile

2-pyridin-3-ylcyclohexane-1-carbonitrile (PubChem CID 82241004) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-pyridin-3-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-pyridin-3-ylcyclohexane-1-carbonitrile
PubChem CID82241004
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-pyridin-3-ylcyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1c1cccnc1
InChIInChI=1S/C12H14N2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h3,5,7,9-10,12H,1-2,4,6H2
InChIKeyDMGRHJXOOGEBQS-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylcycloheptane-1-carbonitrile
CID 82241213
2-(2-pyridin-3-ylcyclohexyl)acetonitrile
CID 82241256
3-[2-(4-phenylphenyl)cyclohexyl]pyridine
CID 175611155
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
3-(2-methylcyclobutyl)pyridine
CID 174716389
3-(2-bromocyclobutyl)pyridine
CID 142785630
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylcyclohexane-1-carbonitrile?
The IUPAC name of 2-pyridin-3-ylcyclohexane-1-carbonitrile (CID 82241004) is 2-pyridin-3-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-pyridin-3-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-pyridin-3-ylcyclohexane-1-carbonitrile is N#CC1CCCCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylcyclohexane-1-carbonitrile?
The InChIKey is DMGRHJXOOGEBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h3,5,7,9-10,12H,1-2,4,6H2.
What are the key properties of 2-pyridin-3-ylcyclohexane-1-carbonitrile?
2-pyridin-3-ylcyclohexane-1-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 82241004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).