5-bromo-1H-indene

C9H7Br — CID 2747571

IUPAC5-bromo-1H-indene
SMILESBrc1ccc2c(c1)C=CC2
InChIInChI=1S/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
InChIKeyZPZKSAJLIFPVSR-UHFFFAOYSA-N
MW195.06 g/mol
LogP3.02
Rot. Bonds

About 5-bromo-1H-indene

5-bromo-1H-indene (PubChem CID 2747571) has the molecular formula C9H7Br and a molecular weight of 195.06 g/mol. Its IUPAC name is 5-bromo-1H-indene.

Molecular Properties

Compound Name5-bromo-1H-indene
PubChem CID2747571
Molecular FormulaC9H7Br
Molecular Weight195.06 g/mol
Exact Mass193.97
IUPAC Name5-bromo-1H-indene
SMILESBrc1ccc2c(c1)C=CC2
InChIInChI=1S/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
InChIKeyZPZKSAJLIFPVSR-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 7805
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4-Bromostyrene
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3,4'-Dibromobiphenyl
CID 154376
3,4,4'-Tribromobiphenyl
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2-Bromo-9H-fluorene
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CID 34679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indene?
The IUPAC name of 5-bromo-1H-indene (CID 2747571) is 5-bromo-1H-indene.
What is the SMILES notation for 5-bromo-1H-indene?
The canonical SMILES for 5-bromo-1H-indene is Brc1ccc2c(c1)C=CC2.
What is the InChIKey of 5-bromo-1H-indene?
The InChIKey is ZPZKSAJLIFPVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2.
What are the key properties of 5-bromo-1H-indene?
5-bromo-1H-indene has a molecular weight of 195.06 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indene is sourced from PubChem (CID 2747571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).