2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine

C20H20N2 — CID 11011669

IUPAC2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine
SMILESCC1=C(c2ccccn2)C2C(C)C2C(c2ccccn2)=CC1
InChIInChI=1S/C20H20N2/c1-13-9-10-15(16-7-3-5-11-21-16)19-14(2)20(19)18(13)17-8-4-6-12-22-17/h3-8,10-12,14,19-20H,9H2,1-2H3
InChIKeyMEOHOYGFBDCVCY-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.62
Rot. Bonds2

About 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine

2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine (PubChem CID 11011669) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine.

Molecular Properties

Compound Name2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine
PubChem CID11011669
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine
SMILESCC1=C(c2ccccn2)C2C(C)C2C(c2ccccn2)=CC1
InChIInChI=1S/C20H20N2/c1-13-9-10-15(16-7-3-5-11-21-16)19-14(2)20(19)18(13)17-8-4-6-12-22-17/h3-8,10-12,14,19-20H,9H2,1-2H3
InChIKeyMEOHOYGFBDCVCY-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine?
The IUPAC name of 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine (CID 11011669) is 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine.
What is the SMILES notation for 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine?
The canonical SMILES for 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine is CC1=C(c2ccccn2)C2C(C)C2C(c2ccccn2)=CC1.
What is the InChIKey of 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine?
The InChIKey is MEOHOYGFBDCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-9-10-15(16-7-3-5-11-21-16)19-14(2)20(19)18(13)17-8-4-6-12-22-17/h3-8,10-12,14,19-20H,9H2,1-2H3.
What are the key properties of 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine?
2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine has a molecular weight of 288.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine is sourced from PubChem (CID 11011669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).