5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine

C18H19BrFN — CID 118857270

IUPAC5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
SMILESCC1(C)CC(C)(C)c2cc(-c3cc(F)c(Br)cn3)ccc21
InChIInChI=1S/C18H19BrFN/c1-17(2)10-18(3,4)13-7-11(5-6-12(13)17)16-8-15(20)14(19)9-21-16/h5-9H,10H2,1-4H3
InChIKeyVIWSEZYKWXQCAY-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.61
Rot. Bonds1

About 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine

5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine (PubChem CID 118857270) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
PubChem CID118857270
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
SMILESCC1(C)CC(C)(C)c2cc(-c3cc(F)c(Br)cn3)ccc21
InChIInChI=1S/C18H19BrFN/c1-17(2)10-18(3,4)13-7-11(5-6-12(13)17)16-8-15(20)14(19)9-21-16/h5-9H,10H2,1-4H3
InChIKeyVIWSEZYKWXQCAY-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.61
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-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
The IUPAC name of 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine (CID 118857270) is 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine.
What is the SMILES notation for 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
The canonical SMILES for 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine is CC1(C)CC(C)(C)c2cc(-c3cc(F)c(Br)cn3)ccc21.
What is the InChIKey of 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
The InChIKey is VIWSEZYKWXQCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-17(2)10-18(3,4)13-7-11(5-6-12(13)17)16-8-15(20)14(19)9-21-16/h5-9H,10H2,1-4H3.
What are the key properties of 5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine?
5-bromo-4-fluoro-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine has a molecular weight of 348.26 g/mol, XLogP of 5.61, 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-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine is sourced from PubChem (CID 118857270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).