4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine

C18H19N — CID 118231072

IUPAC4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
SMILESCc1ccnc(-c2ccc3c(c2)C2CCC3CC2)c1
InChIInChI=1S/C18H19N/c1-12-8-9-19-18(10-12)15-6-7-16-13-2-4-14(5-3-13)17(16)11-15/h6-11,13-14H,2-5H2,1H3
InChIKeyBOXVPYIVUVTDJK-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.81
Rot. Bonds1

About 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine

4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine (PubChem CID 118231072) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine.

Molecular Properties

Compound Name4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
PubChem CID118231072
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
SMILESCc1ccnc(-c2ccc3c(c2)C2CCC3CC2)c1
InChIInChI=1S/C18H19N/c1-12-8-9-19-18(10-12)15-6-7-16-13-2-4-14(5-3-13)17(16)11-15/h6-11,13-14H,2-5H2,1H3
InChIKeyBOXVPYIVUVTDJK-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine?
The IUPAC name of 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine (CID 118231072) is 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine.
What is the SMILES notation for 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine?
The canonical SMILES for 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine is Cc1ccnc(-c2ccc3c(c2)C2CCC3CC2)c1.
What is the InChIKey of 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine?
The InChIKey is BOXVPYIVUVTDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-12-8-9-19-18(10-12)15-6-7-16-13-2-4-14(5-3-13)17(16)11-15/h6-11,13-14H,2-5H2,1H3.
What are the key properties of 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine?
4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine has a molecular weight of 249.36 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine is sourced from PubChem (CID 118231072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).