7-bromo-1H-indol-6-amine

C8H7BrN2 — CID 45117017

IUPAC7-bromo-1H-indol-6-amine
SMILESNc1ccc2cc[nH]c2c1Br
InChIInChI=1S/C8H7BrN2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,11H,10H2
InChIKeyIKAAHTJPXIBIHN-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.51
Rot. Bonds

About 7-bromo-1H-indol-6-amine

7-bromo-1H-indol-6-amine (PubChem CID 45117017) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 7-bromo-1H-indol-6-amine.

Molecular Properties

Compound Name7-bromo-1H-indol-6-amine
PubChem CID45117017
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name7-bromo-1H-indol-6-amine
SMILESNc1ccc2cc[nH]c2c1Br
InChIInChI=1S/C8H7BrN2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,11H,10H2
InChIKeyIKAAHTJPXIBIHN-UHFFFAOYSA-N
XLogP2.51
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-indol-6-amine?
The IUPAC name of 7-bromo-1H-indol-6-amine (CID 45117017) is 7-bromo-1H-indol-6-amine.
What is the SMILES notation for 7-bromo-1H-indol-6-amine?
The canonical SMILES for 7-bromo-1H-indol-6-amine is Nc1ccc2cc[nH]c2c1Br.
What is the InChIKey of 7-bromo-1H-indol-6-amine?
The InChIKey is IKAAHTJPXIBIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,11H,10H2.
What are the key properties of 7-bromo-1H-indol-6-amine?
7-bromo-1H-indol-6-amine has a molecular weight of 211.06 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-indol-6-amine is sourced from PubChem (CID 45117017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).