3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine

C15H12BrN — CID 6539767

IUPAC3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESBrc1ccc2c(c1)CC/C2=C\c1cccnc1
InChIInChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
InChIKeyQWAFSKBCSGIDRF-XYOKQWHBSA-N
MW286.17 g/mol
LogP4.33
Rot. Bonds1

About 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine

3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539767) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539767
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESBrc1ccc2c(c1)CC/C2=C\c1cccnc1
InChIInChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+
InChIKeyQWAFSKBCSGIDRF-XYOKQWHBSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539767) is 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine is Brc1ccc2c(c1)CC/C2=C\c1cccnc1.
What is the InChIKey of 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is QWAFSKBCSGIDRF-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H12BrN/c16-14-5-6-15-12(3-4-13(15)9-14)8-11-2-1-7-17-10-11/h1-2,5-10H,3-4H2/b12-8+.
What are the key properties of 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 286.17 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).