5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine

C21H26FN — CID 145066225

IUPAC5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine
SMILESCc1cc2c(cc1-c1ccc(F)cn1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C21H26FN/c1-13-10-16-17(20(4,5)21(6,7)19(16,2)3)11-15(13)18-9-8-14(22)12-23-18/h8-12H,1-7H3
InChIKeyNIWBBVGARZGOLM-UHFFFAOYSA-N
MW311.44 g/mol
LogP5.79
Rot. Bonds1

About 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine

5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine (PubChem CID 145066225) has the molecular formula C21H26FN and a molecular weight of 311.44 g/mol. Its IUPAC name is 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine
PubChem CID145066225
Molecular FormulaC21H26FN
Molecular Weight311.44 g/mol
Exact Mass311.20
IUPAC Name5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine
SMILESCc1cc2c(cc1-c1ccc(F)cn1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C21H26FN/c1-13-10-16-17(20(4,5)21(6,7)19(16,2)3)11-15(13)18-9-8-14(22)12-23-18/h8-12H,1-7H3
InChIKeyNIWBBVGARZGOLM-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine?
The IUPAC name of 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine (CID 145066225) is 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine.
What is the SMILES notation for 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine?
The canonical SMILES for 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine is Cc1cc2c(cc1-c1ccc(F)cn1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine?
The InChIKey is NIWBBVGARZGOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN/c1-13-10-16-17(20(4,5)21(6,7)19(16,2)3)11-15(13)18-9-8-14(22)12-23-18/h8-12H,1-7H3.
What are the key properties of 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine?
5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine has a molecular weight of 311.44 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)pyridine is sourced from PubChem (CID 145066225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).