2-cyclohexyl-5-methylpyridine

C12H17N — CID 83382376

IUPAC2-cyclohexyl-5-methylpyridine
SMILESCc1ccc(C2CCCCC2)nc1
InChIInChI=1S/C12H17N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyDOFMEXPWOWXISS-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.44
Rot. Bonds1

About 2-cyclohexyl-5-methylpyridine

2-cyclohexyl-5-methylpyridine (PubChem CID 83382376) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-cyclohexyl-5-methylpyridine.

Molecular Properties

Compound Name2-cyclohexyl-5-methylpyridine
PubChem CID83382376
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-cyclohexyl-5-methylpyridine
SMILESCc1ccc(C2CCCCC2)nc1
InChIInChI=1S/C12H17N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyDOFMEXPWOWXISS-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methylpyridine?
The IUPAC name of 2-cyclohexyl-5-methylpyridine (CID 83382376) is 2-cyclohexyl-5-methylpyridine.
What is the SMILES notation for 2-cyclohexyl-5-methylpyridine?
The canonical SMILES for 2-cyclohexyl-5-methylpyridine is Cc1ccc(C2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexyl-5-methylpyridine?
The InChIKey is DOFMEXPWOWXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-methylpyridine?
2-cyclohexyl-5-methylpyridine has a molecular weight of 175.28 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methylpyridine is sourced from PubChem (CID 83382376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).