2,3-dibromoindol-1-amine

C8H6Br2N2 — CID 141135637

IUPAC2,3-dibromoindol-1-amine
SMILESNn1c(Br)c(Br)c2ccccc21
InChIInChI=1S/C8H6Br2N2/c9-7-5-3-1-2-4-6(5)12(11)8(7)10/h1-4H,11H2
InChIKeyAHBSSXHHULBOKB-UHFFFAOYSA-N
MW289.96 g/mol
LogP2.88
Rot. Bonds

About 2,3-dibromoindol-1-amine

2,3-dibromoindol-1-amine (PubChem CID 141135637) has the molecular formula C8H6Br2N2 and a molecular weight of 289.96 g/mol. Its IUPAC name is 2,3-dibromoindol-1-amine.

Molecular Properties

Compound Name2,3-dibromoindol-1-amine
PubChem CID141135637
Molecular FormulaC8H6Br2N2
Molecular Weight289.96 g/mol
Exact Mass287.89
IUPAC Name2,3-dibromoindol-1-amine
SMILESNn1c(Br)c(Br)c2ccccc21
InChIInChI=1S/C8H6Br2N2/c9-7-5-3-1-2-4-6(5)12(11)8(7)10/h1-4H,11H2
InChIKeyAHBSSXHHULBOKB-UHFFFAOYSA-N
XLogP2.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.96
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromoindol-1-amine?
The IUPAC name of 2,3-dibromoindol-1-amine (CID 141135637) is 2,3-dibromoindol-1-amine.
What is the SMILES notation for 2,3-dibromoindol-1-amine?
The canonical SMILES for 2,3-dibromoindol-1-amine is Nn1c(Br)c(Br)c2ccccc21.
What is the InChIKey of 2,3-dibromoindol-1-amine?
The InChIKey is AHBSSXHHULBOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2/c9-7-5-3-1-2-4-6(5)12(11)8(7)10/h1-4H,11H2.
What are the key properties of 2,3-dibromoindol-1-amine?
2,3-dibromoindol-1-amine has a molecular weight of 289.96 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromoindol-1-amine is sourced from PubChem (CID 141135637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).