2-cyclohexyl-2-pyridin-3-ylacetonitrile

C13H16N2 — CID 82931254

IUPAC2-cyclohexyl-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)C1CCCCC1
InChIInChI=1S/C13H16N2/c14-9-13(11-5-2-1-3-6-11)12-7-4-8-15-10-12/h4,7-8,10-11,13H,1-3,5-6H2
InChIKeyQIFHIAGIEFOTTF-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.27
Rot. Bonds2

About 2-cyclohexyl-2-pyridin-3-ylacetonitrile

2-cyclohexyl-2-pyridin-3-ylacetonitrile (PubChem CID 82931254) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-cyclohexyl-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-pyridin-3-ylacetonitrile
PubChem CID82931254
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-cyclohexyl-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)C1CCCCC1
InChIInChI=1S/C13H16N2/c14-9-13(11-5-2-1-3-6-11)12-7-4-8-15-10-12/h4,7-8,10-11,13H,1-3,5-6H2
InChIKeyQIFHIAGIEFOTTF-UHFFFAOYSA-N
XLogP3.27
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
ethyl 4-[(R)-cyano(pyridin-3-yl)methyl]piperidine-1-carboxylate
CID 129362508
1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
CID 51669423
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine
CID 82937102
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile
CID 60995530

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-cyclohexyl-2-pyridin-3-ylacetonitrile (CID 82931254) is 2-cyclohexyl-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-cyclohexyl-2-pyridin-3-ylacetonitrile is N#CC(c1cccnc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-pyridin-3-ylacetonitrile?
The InChIKey is QIFHIAGIEFOTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-9-13(11-5-2-1-3-6-11)12-7-4-8-15-10-12/h4,7-8,10-11,13H,1-3,5-6H2.
What are the key properties of 2-cyclohexyl-2-pyridin-3-ylacetonitrile?
2-cyclohexyl-2-pyridin-3-ylacetonitrile has a molecular weight of 200.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 82931254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).