5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine

C16H13BrFN — CID 118857442

IUPAC5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine
SMILESFc1cc(Br)cnc1-c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C16H13BrFN/c17-12-7-15(18)16(19-8-12)11-3-4-13-9-1-2-10(5-9)14(13)6-11/h3-4,6-10H,1-2,5H2
InChIKeyZNSKVETYYUZCDJ-UHFFFAOYSA-N
MW318.19 g/mol
LogP5.01
Rot. Bonds1

About 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine

5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine (PubChem CID 118857442) has the molecular formula C16H13BrFN and a molecular weight of 318.19 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine
PubChem CID118857442
Molecular FormulaC16H13BrFN
Molecular Weight318.19 g/mol
Exact Mass317.02
IUPAC Name5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine
SMILESFc1cc(Br)cnc1-c1ccc2c(c1)C1CCC2C1
InChIInChI=1S/C16H13BrFN/c17-12-7-15(18)16(19-8-12)11-3-4-13-9-1-2-10(5-9)14(13)6-11/h3-4,6-10H,1-2,5H2
InChIKeyZNSKVETYYUZCDJ-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine (CID 118857442) is 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine is Fc1cc(Br)cnc1-c1ccc2c(c1)C1CCC2C1.
What is the InChIKey of 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine?
The InChIKey is ZNSKVETYYUZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN/c17-12-7-15(18)16(19-8-12)11-3-4-13-9-1-2-10(5-9)14(13)6-11/h3-4,6-10H,1-2,5H2.
What are the key properties of 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine?
5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine has a molecular weight of 318.19 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridine is sourced from PubChem (CID 118857442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).