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

C15H12BrN — CID 6539794

IUPAC4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESBrc1ccc2c(c1)CC/C2=C\c1ccncc1
InChIInChI=1S/C15H12BrN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+
InChIKeyMNQUPNOEJZVKRD-FMIVXFBMSA-N
MW286.17 g/mol
LogP4.33
Rot. Bonds1

About 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine

4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539794) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539794
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESBrc1ccc2c(c1)CC/C2=C\c1ccncc1
InChIInChI=1S/C15H12BrN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+
InChIKeyMNQUPNOEJZVKRD-FMIVXFBMSA-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 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539794) is 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine is Brc1ccc2c(c1)CC/C2=C\c1ccncc1.
What is the InChIKey of 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is MNQUPNOEJZVKRD-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H12BrN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+.
What are the key properties of 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine?
4-[(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 4-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).