2,6-bis(1-methylinden-1-yl)pyridine

C25H21N — CID 139415880

IUPAC2,6-bis(1-methylinden-1-yl)pyridine
SMILESCC1(c2cccc(C3(C)C=Cc4ccccc43)n2)C=Cc2ccccc21
InChIInChI=1S/C25H21N/c1-24(16-14-18-8-3-5-10-20(18)24)22-12-7-13-23(26-22)25(2)17-15-19-9-4-6-11-21(19)25/h3-17H,1-2H3
InChIKeySRTSGXMHKGYBRH-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.75
Rot. Bonds2

About 2,6-bis(1-methylinden-1-yl)pyridine

2,6-bis(1-methylinden-1-yl)pyridine (PubChem CID 139415880) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 2,6-bis(1-methylinden-1-yl)pyridine.

Molecular Properties

Compound Name2,6-bis(1-methylinden-1-yl)pyridine
PubChem CID139415880
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name2,6-bis(1-methylinden-1-yl)pyridine
SMILESCC1(c2cccc(C3(C)C=Cc4ccccc43)n2)C=Cc2ccccc21
InChIInChI=1S/C25H21N/c1-24(16-14-18-8-3-5-10-20(18)24)22-12-7-13-23(26-22)25(2)17-15-19-9-4-6-11-21(19)25/h3-17H,1-2H3
InChIKeySRTSGXMHKGYBRH-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-methylinden-1-yl)pyridine?
The IUPAC name of 2,6-bis(1-methylinden-1-yl)pyridine (CID 139415880) is 2,6-bis(1-methylinden-1-yl)pyridine.
What is the SMILES notation for 2,6-bis(1-methylinden-1-yl)pyridine?
The canonical SMILES for 2,6-bis(1-methylinden-1-yl)pyridine is CC1(c2cccc(C3(C)C=Cc4ccccc43)n2)C=Cc2ccccc21.
What is the InChIKey of 2,6-bis(1-methylinden-1-yl)pyridine?
The InChIKey is SRTSGXMHKGYBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-24(16-14-18-8-3-5-10-20(18)24)22-12-7-13-23(26-22)25(2)17-15-19-9-4-6-11-21(19)25/h3-17H,1-2H3.
What are the key properties of 2,6-bis(1-methylinden-1-yl)pyridine?
2,6-bis(1-methylinden-1-yl)pyridine has a molecular weight of 335.45 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-methylinden-1-yl)pyridine is sourced from PubChem (CID 139415880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).