2-(2-pyridin-3-ylcyclohexyl)acetonitrile

C13H16N2 — CID 82241256

IUPAC2-(2-pyridin-3-ylcyclohexyl)acetonitrile
SMILESN#CCC1CCCCC1c1cccnc1
InChIInChI=1S/C13H16N2/c14-8-7-11-4-1-2-6-13(11)12-5-3-9-15-10-12/h3,5,9-11,13H,1-2,4,6-7H2
InChIKeyKRDPHWIEAXHOQV-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-pyridin-3-ylcyclohexyl)acetonitrile

2-(2-pyridin-3-ylcyclohexyl)acetonitrile (PubChem CID 82241256) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylcyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-(2-pyridin-3-ylcyclohexyl)acetonitrile
PubChem CID82241256
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-(2-pyridin-3-ylcyclohexyl)acetonitrile
SMILESN#CCC1CCCCC1c1cccnc1
InChIInChI=1S/C13H16N2/c14-8-7-11-4-1-2-6-13(11)12-5-3-9-15-10-12/h3,5,9-11,13H,1-2,4,6-7H2
InChIKeyKRDPHWIEAXHOQV-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

[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
2-pyridin-3-ylcyclohexane-1-carbonitrile
CID 82241004
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
2-[2-(3-methylphenyl)cycloheptyl]acetonitrile
CID 82242576
2-[2-(3-chlorophenyl)cycloheptyl]acetonitrile
CID 82244574
methyl 2-(2-pyridin-3-ylcycloheptyl)acetate
CID 82244502
3-[2-(4-phenylphenyl)cyclohexyl]pyridine
CID 175611155
N-[(2-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 81018367
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
3-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493269

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylcyclohexyl)acetonitrile?
The IUPAC name of 2-(2-pyridin-3-ylcyclohexyl)acetonitrile (CID 82241256) is 2-(2-pyridin-3-ylcyclohexyl)acetonitrile.
What is the SMILES notation for 2-(2-pyridin-3-ylcyclohexyl)acetonitrile?
The canonical SMILES for 2-(2-pyridin-3-ylcyclohexyl)acetonitrile is N#CCC1CCCCC1c1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylcyclohexyl)acetonitrile?
The InChIKey is KRDPHWIEAXHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-8-7-11-4-1-2-6-13(11)12-5-3-9-15-10-12/h3,5,9-11,13H,1-2,4,6-7H2.
What are the key properties of 2-(2-pyridin-3-ylcyclohexyl)acetonitrile?
2-(2-pyridin-3-ylcyclohexyl)acetonitrile 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-(2-pyridin-3-ylcyclohexyl)acetonitrile is sourced from PubChem (CID 82241256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).