5,6-dibromo-2,3-dihydro-1H-indole

C8H7Br2N — CID 82626452

IUPAC5,6-dibromo-2,3-dihydro-1H-indole
SMILESBrc1cc2c(cc1Br)NCC2
InChIInChI=1S/C8H7Br2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4,11H,1-2H2
InChIKeyBSXROYZIOUZIAZ-UHFFFAOYSA-N
MW276.96 g/mol
LogP3.18
Rot. Bonds

About 5,6-dibromo-2,3-dihydro-1H-indole

5,6-dibromo-2,3-dihydro-1H-indole (PubChem CID 82626452) has the molecular formula C8H7Br2N and a molecular weight of 276.96 g/mol. Its IUPAC name is 5,6-dibromo-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,6-dibromo-2,3-dihydro-1H-indole
PubChem CID82626452
Molecular FormulaC8H7Br2N
Molecular Weight276.96 g/mol
Exact Mass274.89
IUPAC Name5,6-dibromo-2,3-dihydro-1H-indole
SMILESBrc1cc2c(cc1Br)NCC2
InChIInChI=1S/C8H7Br2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4,11H,1-2H2
InChIKeyBSXROYZIOUZIAZ-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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Related Compounds

6-bromo-5-methylsulfanyl-2,3-dihydro-1H-indole
CID 10562221
5-bromo-6-nitro-2,3-dihydro-1H-indole
CID 827562
1-(6-bromo-2,3-dihydro-1H-indol-5-yl)-N,N-dimethylmethanamine
CID 82380805
6-bromo-2,3-dihydro-1H-indole
CID 13098379
6-bromo-1,2,3,4-tetrahydroquinolin-7-amine
CID 82391421
7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 71757147
2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine
CID 59469623
1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole
CID 145123011
6-fluoro-2,3-dihydro-1H-indol-5-amine
CID 82417148
6-chloro-5-methyl-2,3-dihydro-1H-indole
CID 22186080
6-chloro-2,3-dihydro-1H-indol-5-amine
CID 82413004
4,6-dibromo-2,3-dihydro-1H-indole
CID 118997689

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2,3-dihydro-1H-indole?
The IUPAC name of 5,6-dibromo-2,3-dihydro-1H-indole (CID 82626452) is 5,6-dibromo-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,6-dibromo-2,3-dihydro-1H-indole?
The canonical SMILES for 5,6-dibromo-2,3-dihydro-1H-indole is Brc1cc2c(cc1Br)NCC2.
What is the InChIKey of 5,6-dibromo-2,3-dihydro-1H-indole?
The InChIKey is BSXROYZIOUZIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4,11H,1-2H2.
What are the key properties of 5,6-dibromo-2,3-dihydro-1H-indole?
5,6-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 5,6-dibromo-2,3-dihydro-1H-indole is sourced from PubChem (CID 82626452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).