5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine

C18H19N — CID 156655077

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine
SMILESc1ccc(-c2ccc(C3CC4CCC3C4)cn2)cc1
InChIInChI=1S/C18H19N/c1-2-4-14(5-3-1)18-9-8-16(12-19-18)17-11-13-6-7-15(17)10-13/h1-5,8-9,12-13,15,17H,6-7,10-11H2
InChIKeyOHCBXEOEVBFCPX-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.65
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine

5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine (PubChem CID 156655077) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine
PubChem CID156655077
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine
SMILESc1ccc(-c2ccc(C3CC4CCC3C4)cn2)cc1
InChIInChI=1S/C18H19N/c1-2-4-14(5-3-1)18-9-8-16(12-19-18)17-11-13-6-7-15(17)10-13/h1-5,8-9,12-13,15,17H,6-7,10-11H2
InChIKeyOHCBXEOEVBFCPX-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine (CID 156655077) is 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine is c1ccc(-c2ccc(C3CC4CCC3C4)cn2)cc1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine?
The InChIKey is OHCBXEOEVBFCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-4-14(5-3-1)18-9-8-16(12-19-18)17-11-13-6-7-15(17)10-13/h1-5,8-9,12-13,15,17H,6-7,10-11H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine?
5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine has a molecular weight of 249.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine is sourced from PubChem (CID 156655077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).