4,6-dibromo-2,3-dihydro-1H-indole

C8H7Br2N — CID 118997689

IUPAC4,6-dibromo-2,3-dihydro-1H-indole
SMILESBrc1cc(Br)c2c(c1)NCC2
InChIInChI=1S/C8H7Br2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h3-4,11H,1-2H2
InChIKeyBMSSXPUHKOOGRM-UHFFFAOYSA-N
MW276.96 g/mol
LogP3.18
Rot. Bonds

About 4,6-dibromo-2,3-dihydro-1H-indole

4,6-dibromo-2,3-dihydro-1H-indole (PubChem CID 118997689) has the molecular formula C8H7Br2N and a molecular weight of 276.96 g/mol. Its IUPAC name is 4,6-dibromo-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4,6-dibromo-2,3-dihydro-1H-indole
PubChem CID118997689
Molecular FormulaC8H7Br2N
Molecular Weight276.96 g/mol
Exact Mass274.89
IUPAC Name4,6-dibromo-2,3-dihydro-1H-indole
SMILESBrc1cc(Br)c2c(c1)NCC2
InChIInChI=1S/C8H7Br2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h3-4,11H,1-2H2
InChIKeyBMSSXPUHKOOGRM-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.96
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2,3-dihydro-1H-indole?
The IUPAC name of 4,6-dibromo-2,3-dihydro-1H-indole (CID 118997689) is 4,6-dibromo-2,3-dihydro-1H-indole.
What is the SMILES notation for 4,6-dibromo-2,3-dihydro-1H-indole?
The canonical SMILES for 4,6-dibromo-2,3-dihydro-1H-indole is Brc1cc(Br)c2c(c1)NCC2.
What is the InChIKey of 4,6-dibromo-2,3-dihydro-1H-indole?
The InChIKey is BMSSXPUHKOOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h3-4,11H,1-2H2.
What are the key properties of 4,6-dibromo-2,3-dihydro-1H-indole?
4,6-dibromo-2,3-dihydro-1H-indole has a molecular weight of 276.96 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2,3-dihydro-1H-indole is sourced from PubChem (CID 118997689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).