2-(4-cyclohexylnaphthalen-2-yl)pyridine

C21H21N — CID 151672522

IUPAC2-(4-cyclohexylnaphthalen-2-yl)pyridine
SMILESc1ccc(-c2cc(C3CCCCC3)c3ccccc3c2)nc1
InChIInChI=1S/C21H21N/c1-2-8-16(9-3-1)20-15-18(21-12-6-7-13-22-21)14-17-10-4-5-11-19(17)20/h4-7,10-16H,1-3,8-9H2
InChIKeyQYVSGJKFZSJPFW-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.95
Rot. Bonds2

About 2-(4-cyclohexylnaphthalen-2-yl)pyridine

2-(4-cyclohexylnaphthalen-2-yl)pyridine (PubChem CID 151672522) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(4-cyclohexylnaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-cyclohexylnaphthalen-2-yl)pyridine
PubChem CID151672522
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-(4-cyclohexylnaphthalen-2-yl)pyridine
SMILESc1ccc(-c2cc(C3CCCCC3)c3ccccc3c2)nc1
InChIInChI=1S/C21H21N/c1-2-8-16(9-3-1)20-15-18(21-12-6-7-13-22-21)14-17-10-4-5-11-19(17)20/h4-7,10-16H,1-3,8-9H2
InChIKeyQYVSGJKFZSJPFW-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylnaphthalen-2-yl)pyridine?
The IUPAC name of 2-(4-cyclohexylnaphthalen-2-yl)pyridine (CID 151672522) is 2-(4-cyclohexylnaphthalen-2-yl)pyridine.
What is the SMILES notation for 2-(4-cyclohexylnaphthalen-2-yl)pyridine?
The canonical SMILES for 2-(4-cyclohexylnaphthalen-2-yl)pyridine is c1ccc(-c2cc(C3CCCCC3)c3ccccc3c2)nc1.
What is the InChIKey of 2-(4-cyclohexylnaphthalen-2-yl)pyridine?
The InChIKey is QYVSGJKFZSJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-2-8-16(9-3-1)20-15-18(21-12-6-7-13-22-21)14-17-10-4-5-11-19(17)20/h4-7,10-16H,1-3,8-9H2.
What are the key properties of 2-(4-cyclohexylnaphthalen-2-yl)pyridine?
2-(4-cyclohexylnaphthalen-2-yl)pyridine has a molecular weight of 287.41 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylnaphthalen-2-yl)pyridine is sourced from PubChem (CID 151672522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).