5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

C20H23BrFN — CID 118857275

IUPAC5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3cc(F)c(Br)cn3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C20H23BrFN/c1-18(2)13-8-7-12(17-10-16(22)15(21)11-23-17)9-14(13)19(3,4)20(18,5)6/h7-11H,1-6H3
InChIKeyBEHBMZHHNCSOFS-UHFFFAOYSA-N
MW376.31 g/mol
LogP6.25
Rot. Bonds1

About 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (PubChem CID 118857275) has the molecular formula C20H23BrFN and a molecular weight of 376.31 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
PubChem CID118857275
Molecular FormulaC20H23BrFN
Molecular Weight376.31 g/mol
Exact Mass375.10
IUPAC Name5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3cc(F)c(Br)cn3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C20H23BrFN/c1-18(2)13-8-7-12(17-10-16(22)15(21)11-23-17)9-14(13)19(3,4)20(18,5)6/h7-11H,1-6H3
InChIKeyBEHBMZHHNCSOFS-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The IUPAC name of 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (CID 118857275) is 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.
What is the SMILES notation for 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The canonical SMILES for 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is CC1(C)c2ccc(-c3cc(F)c(Br)cn3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The InChIKey is BEHBMZHHNCSOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN/c1-18(2)13-8-7-12(17-10-16(22)15(21)11-23-17)9-14(13)19(3,4)20(18,5)6/h7-11H,1-6H3.
What are the key properties of 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine has a molecular weight of 376.31 g/mol, XLogP of 6.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is sourced from PubChem (CID 118857275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).