5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine

C18H18BrF2N — CID 118857357

IUPAC5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3ccc(Br)cn3)cc2C(C)(C)C1(F)F
InChIInChI=1S/C18H18BrF2N/c1-16(2)13-7-5-11(15-8-6-12(19)10-22-15)9-14(13)17(3,4)18(16,20)21/h5-10H,1-4H3
InChIKeyVQDXGPGGFOMLSO-UHFFFAOYSA-N
MW366.25 g/mol
LogP5.72
Rot. Bonds1

About 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine

5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine (PubChem CID 118857357) has the molecular formula C18H18BrF2N and a molecular weight of 366.25 g/mol. Its IUPAC name is 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine
PubChem CID118857357
Molecular FormulaC18H18BrF2N
Molecular Weight366.25 g/mol
Exact Mass365.06
IUPAC Name5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3ccc(Br)cn3)cc2C(C)(C)C1(F)F
InChIInChI=1S/C18H18BrF2N/c1-16(2)13-7-5-11(15-8-6-12(19)10-22-15)9-14(13)17(3,4)18(16,20)21/h5-10H,1-4H3
InChIKeyVQDXGPGGFOMLSO-UHFFFAOYSA-N
XLogP5.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine?
The IUPAC name of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine (CID 118857357) is 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine?
The canonical SMILES for 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine is CC1(C)c2ccc(-c3ccc(Br)cn3)cc2C(C)(C)C1(F)F.
What is the InChIKey of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine?
The InChIKey is VQDXGPGGFOMLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2N/c1-16(2)13-7-5-11(15-8-6-12(19)10-22-15)9-14(13)17(3,4)18(16,20)21/h5-10H,1-4H3.
What are the key properties of 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine?
5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine has a molecular weight of 366.25 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)pyridine is sourced from PubChem (CID 118857357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).