4-[1-(4-chlorophenyl)cyclohexyl]pyridine

C17H18ClN — CID 70867486

IUPAC4-[1-(4-chlorophenyl)cyclohexyl]pyridine
SMILESClc1ccc(C2(c3ccncc3)CCCCC2)cc1
InChIInChI=1S/C17H18ClN/c18-16-6-4-14(5-7-16)17(10-2-1-3-11-17)15-8-12-19-13-9-15/h4-9,12-13H,1-3,10-11H2
InChIKeyAVKQZCMTNZFWRK-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.99
Rot. Bonds2

About 4-[1-(4-chlorophenyl)cyclohexyl]pyridine

4-[1-(4-chlorophenyl)cyclohexyl]pyridine (PubChem CID 70867486) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclohexyl]pyridine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclohexyl]pyridine
PubChem CID70867486
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name4-[1-(4-chlorophenyl)cyclohexyl]pyridine
SMILESClc1ccc(C2(c3ccncc3)CCCCC2)cc1
InChIInChI=1S/C17H18ClN/c18-16-6-4-14(5-7-16)17(10-2-1-3-11-17)15-8-12-19-13-9-15/h4-9,12-13H,1-3,10-11H2
InChIKeyAVKQZCMTNZFWRK-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclohexyl]pyridine?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclohexyl]pyridine (CID 70867486) is 4-[1-(4-chlorophenyl)cyclohexyl]pyridine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclohexyl]pyridine?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclohexyl]pyridine is Clc1ccc(C2(c3ccncc3)CCCCC2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclohexyl]pyridine?
The InChIKey is AVKQZCMTNZFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-16-6-4-14(5-7-16)17(10-2-1-3-11-17)15-8-12-19-13-9-15/h4-9,12-13H,1-3,10-11H2.
What are the key properties of 4-[1-(4-chlorophenyl)cyclohexyl]pyridine?
4-[1-(4-chlorophenyl)cyclohexyl]pyridine has a molecular weight of 271.79 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclohexyl]pyridine is sourced from PubChem (CID 70867486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).